7V1N
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![BU of 7v1n by Molmil](/molmil-images/mine/7v1n) | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | Deposit date: | 2021-08-05 | Release date: | 2022-02-23 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile. Cell, 185, 2022
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7R1U
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![BU of 7r1u by Molmil](/molmil-images/mine/7r1u) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | Deposit date: | 2022-02-03 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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7R1T
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![BU of 7r1t by Molmil](/molmil-images/mine/7r1t) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | Deposit date: | 2022-02-03 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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7LUS
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![BU of 7lus by Molmil](/molmil-images/mine/7lus) | IgG2 Fc Charge Pair Mutation version 1 (CPMv1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2 | Authors: | Sudom, A, Whittington, D, Garces, F, Wang, Z. | Deposit date: | 2021-02-23 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Next generation Fc scaffold for multispecific antibodies. Iscience, 24, 2021
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3AFK
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![BU of 3afk by Molmil](/molmil-images/mine/3afk) | |
7LUR
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![BU of 7lur by Molmil](/molmil-images/mine/7lur) | |
5F59
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![BU of 5f59 by Molmil](/molmil-images/mine/5f59) | The crystal structure of MLL3 SET domain | Descriptor: | Histone-lysine N-methyltransferase 2C, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-04 | Release date: | 2016-02-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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5F5E
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![BU of 5f5e by Molmil](/molmil-images/mine/5f5e) | |
5F6L
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![BU of 5f6l by Molmil](/molmil-images/mine/5f6l) | The crystal structure of MLL1 (N3861I/Q3867L) in complex with RbBP5 and Ash2L | Descriptor: | Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-06 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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7Q1K
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![BU of 7q1k by Molmil](/molmil-images/mine/7q1k) | Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ... | Authors: | Yu, W, Mohsin, I, Li, D.C, Papageorgiou, A.C. | Deposit date: | 2021-10-20 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products Catalysts, 12, 2022
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5F6K
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![BU of 5f6k by Molmil](/molmil-images/mine/5f6k) | Crystal structure of the MLL3-Ash2L-RbBP5 complex | Descriptor: | Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Li, Y, Lei, M, Chen, Y. | Deposit date: | 2015-12-06 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Structural basis for activity regulation of MLL family methyltransferases. Nature, 530, 2016
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4NWK
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![BU of 4nwk by Molmil](/molmil-images/mine/4nwk) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4NWL
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![BU of 4nwl by Molmil](/molmil-images/mine/4nwl) | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | Authors: | Muckelbauer, J.K, Klei, H.E. | Deposit date: | 2013-12-06 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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3HU2
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![BU of 3hu2 by Molmil](/molmil-images/mine/3hu2) | Structure of p97 N-D1 R86A mutant in complex with ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Tang, W.-K. | Deposit date: | 2009-06-12 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants. Embo J., 29, 2010
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3HU1
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![BU of 3hu1 by Molmil](/molmil-images/mine/3hu1) | Structure of p97 N-D1 R95G mutant in complex with ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Tang, W.-K. | Deposit date: | 2009-06-12 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants. Embo J., 29, 2010
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5KZF
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![BU of 5kzf by Molmil](/molmil-images/mine/5kzf) | |
3HU3
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![BU of 3hu3 by Molmil](/molmil-images/mine/3hu3) | Structure of p97 N-D1 R155H mutant in complex with ATPgS | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Tang, W.-K. | Deposit date: | 2009-06-12 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A novel ATP-dependent conformation in p97 N-D1 fragment revealed by crystal structures of disease-related mutants. Embo J., 29, 2010
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8H7Z
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![BU of 8h7z by Molmil](/molmil-images/mine/8h7z) | |
8H7L
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![BU of 8h7l by Molmil](/molmil-images/mine/8h7l) | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ... | Authors: | Liu, Z, Yan, A, Gao, Y. | Deposit date: | 2022-10-20 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants. Nat Commun, 15, 2024
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8UD9
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![BU of 8ud9 by Molmil](/molmil-images/mine/8ud9) | Structure of human constitutive 20S proteasome complexed with the inhibitor TDI-8304 | Descriptor: | (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Hsu, H.-C, Li, H. | Deposit date: | 2023-09-28 | Release date: | 2023-12-20 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.04 Å) | Cite: | Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors. Nat Commun, 14, 2023
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8GRY
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![BU of 8gry by Molmil](/molmil-images/mine/8gry) | Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ... | Authors: | Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-03 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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3FP9
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![BU of 3fp9 by Molmil](/molmil-images/mine/3fp9) | |
8H06
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![BU of 8h06 by Molmil](/molmil-images/mine/8h06) | Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement) | 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: | Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-09-28 | Release date: | 2023-07-19 | Last modified: | 2023-08-02 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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8H5C
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![BU of 8h5c by Molmil](/molmil-images/mine/8h5c) | Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human ACE2 | 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: | Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F. | Deposit date: | 2022-10-12 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants. Nat Commun, 14, 2023
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5KWA
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![BU of 5kwa by Molmil](/molmil-images/mine/5kwa) | |