6SM8
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![BU of 6sm8 by Molmil](/molmil-images/mine/6sm8) | Human jak1 kinase domain in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile, Tyrosine-protein kinase JAK1 | Authors: | Read, J.A, Steuber, H. | Deposit date: | 2019-08-21 | Release date: | 2020-04-29 | Last modified: | 2020-05-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of (2R)-N-[3-[2-[(3-Methoxy-1-methyl-pyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propenamide (AZD4205) as a Potent and Selective Janus Kinase 1 Inhibitor. J.Med.Chem., 63, 2020
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8CWY
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![BU of 8cwy by Molmil](/molmil-images/mine/8cwy) | |
8CUS
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![BU of 8cus by Molmil](/molmil-images/mine/8cus) | |
8CUW
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![BU of 8cuw by Molmil](/molmil-images/mine/8cuw) | |
8CUT
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![BU of 8cut by Molmil](/molmil-images/mine/8cut) | |
8CUX
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![BU of 8cux by Molmil](/molmil-images/mine/8cux) | |
8CWS
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![BU of 8cws by Molmil](/molmil-images/mine/8cws) | |
8CWZ
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![BU of 8cwz by Molmil](/molmil-images/mine/8cwz) | |
8CUU
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![BU of 8cuu by Molmil](/molmil-images/mine/8cuu) | |
8CUV
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![BU of 8cuv by Molmil](/molmil-images/mine/8cuv) | |
5QTT
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![BU of 5qtt by Molmil](/molmil-images/mine/5qtt) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-10-16 | Release date: | 2019-12-25 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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5QTU
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![BU of 5qtu by Molmil](/molmil-images/mine/5qtu) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[1-(3-chloro-2-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | Authors: | Sheriff, S. | Deposit date: | 2019-10-16 | Release date: | 2019-12-25 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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3DJN
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![BU of 3djn by Molmil](/molmil-images/mine/3djn) | Crystal structure of mouse TIS21 | Descriptor: | Protein BTG2 | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | Deposit date: | 2008-06-24 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity Nucleic Acids Res., 36, 2008
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3DJU
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![BU of 3dju by Molmil](/molmil-images/mine/3dju) | Crystal structure of human BTG2 | Descriptor: | Protein BTG2 | Authors: | Yang, X, Morita, M, Wang, H, Suzuki, T, Bartlam, M, Yamamoto, T. | Deposit date: | 2008-06-24 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structures of human BTG2 and mouse TIS21 involved in suppression of CAF1 deadenylase activity Nucleic Acids Res., 36, 2008
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2YOJ
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![BU of 2yoj by Molmil](/molmil-images/mine/2yoj) | HCV NS5B polymerase complexed with pyridonylindole compound | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | Deposit date: | 2012-10-24 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate Acs Med.Chem.Lett., 5, 2014
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7SBQ
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![BU of 7sbq by Molmil](/molmil-images/mine/7sbq) | One RBD-up 1 of pre-fusion SARS-CoV-2 Kappa variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBR
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![BU of 7sbr by Molmil](/molmil-images/mine/7sbr) | One RBD-up 2 of pre-fusion SARS-CoV-2 Kappa variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBP
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![BU of 7sbp by Molmil](/molmil-images/mine/7sbp) | Closed state of pre-fusion SARS-CoV-2 Kappa variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBO
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![BU of 7sbo by Molmil](/molmil-images/mine/7sbo) | One RBD-up 2 of pre-fusion SARS-CoV-2 Delta variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBT
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![BU of 7sbt by Molmil](/molmil-images/mine/7sbt) | One RBD-up 2 of pre-fusion SARS-CoV-2 Gamma variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-10 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBK
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![BU of 7sbk by Molmil](/molmil-images/mine/7sbk) | Closed state of pre-fusion SARS-CoV-2 Delta variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBS
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![BU of 7sbs by Molmil](/molmil-images/mine/7sbs) | One RBD-up 1 of pre-fusion SARS-CoV-2 Gamma variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-03 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7SBL
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![BU of 7sbl by Molmil](/molmil-images/mine/7sbl) | One RBD-up 1 of pre-fusion SARS-CoV-2 Delta variant spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B. | Deposit date: | 2021-09-25 | Release date: | 2021-11-10 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Membrane fusion and immune evasion by the spike protein of SARS-CoV-2 Delta variant. Science, 374, 2021
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7T3V
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![BU of 7t3v by Molmil](/molmil-images/mine/7t3v) | Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ... | Authors: | Webb, C.T, McGowan, S. | Deposit date: | 2021-12-08 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase. J.Biol.Chem., 298, 2022
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7SRV
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![BU of 7srv by Molmil](/molmil-images/mine/7srv) | Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Webb, C.T, McGowan, S. | Deposit date: | 2021-11-08 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase. J.Biol.Chem., 298, 2022
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