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Uploaded models discussed in paper #273

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11 changes: 11 additions & 0 deletions data/models/ Carmofur_REAC.yml
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name: Carmofur_REAC.pdb
description: Carmofur - Main Protease complex structure (REAC)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Carmofur_REAC.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/Carmofur_IP.yml
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name: Carmofur_IP.pdb
description: Carmofur - Main Protease complex structure (IP)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Carmofur_IP.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/Carmofur_PROD.yml
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name: Carmofur_PROD.pdb
description: Carmofur - Main Protease complex structure (PROD)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Carmofur_PROD.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/Nirmatrelvir_IP.yml
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name: Nirmatrelvir_IP.pdb
description: Nirmatrelvir - Main Protease complex structure (IP)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Nirmatrelvir_IP.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/Nirmatrelvir_PROD.yml
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name: Nirmatrelvir_PROD.pdb
description: Nirmatrelvir - Main Protease complex structure (PROD)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Nirmatrelvir_PROD.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/Nirmatrelvir_REAC.yml
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name: Nirmatrelvir_REAC.pdb
description: Nirmatrelvir - Main Protease complex structure (REAC)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/Nirmatrelvir_REAC.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77A_IP.yml
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name: X77A_IP.pdb
description: X77A - Main Protease complex structure (IP)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77A_IP.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77A_PROD.yml
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name: X77A_PROD.pdb
description: X77A - Main Protease complex structure (PROD)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77A_PROD.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77A_REAC.yml
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Original file line number Diff line number Diff line change
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name: X77A_REAC.pdb
description: X77A - Main Protease complex structure (REAC)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77A_REAC.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77A_TI.yml
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name: X77A_TI.pdb
description: X77A - Main Protease complex structure (TI)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77A_TI.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77C_IP.yml
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name: X77C_IP.pdb
description: X77C - Main Protease complex structure (IP)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77C_IP.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77C_MC.yml
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name: X77C_MC.pdb
description: X77C - Main Protease complex structure (MC)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77C_MC.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77C_PROD.yml
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Original file line number Diff line number Diff line change
@@ -0,0 +1,11 @@
name: X77C_PROD.pdb
description: X77C - Main Protease complex structure (PROD)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77C_PROD.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229
11 changes: 11 additions & 0 deletions data/models/X77C_REAC.yml
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Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,11 @@
name: X77C_REAC.pdb
description: X77C - Main Protease complex structure (REAC)
url: https://github.com/gorangiud/MolSSI_COVID-19_hub-base/blob/main/X77C_REAC.pdb
pdbids:
- 7BUY
proteins:
- 3CLpro
creator: Bella Grigorenko and Igor Polyakov
institution: Lomonosov Moscow State University, Department of Chemistry
lab: Alexander V. Nemukhin research group
publication: https://doi.org/10.1021/jacs.3c02229