1PVD
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2I4W
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![BU of 2i4w by Molmil](/molmil-images/mine/2i4w) | HIV-1 protease WT with GS-8374 | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-22 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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2I4U
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![BU of 2i4u by Molmil](/molmil-images/mine/2i4u) | HIV-1 protease with TMC-126 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-22 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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2I4D
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![BU of 2i4d by Molmil](/molmil-images/mine/2i4d) | Crystal structure of WT HIV-1 protease with GS-8373 | Descriptor: | ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-21 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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2I4V
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![BU of 2i4v by Molmil](/molmil-images/mine/2i4v) | HIV-1 protease I84V, L90M with TMC126 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease | Authors: | Hatada, M. | Deposit date: | 2006-08-22 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring. J.Mol.Biol., 363, 2006
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1PYD
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1KHI
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![BU of 1khi by Molmil](/molmil-images/mine/1khi) | CRYSTAL STRUCTURE OF HEX1 | Descriptor: | Hex1 | Authors: | Yuan, P, Swaminathan, K. | Deposit date: | 2001-11-30 | Release date: | 2002-11-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A HEX-1 crystal lattice required for Woronin body function in Neurospora crassa NAT.STRUCT.BIOL., 10, 2003
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8DL9
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8DLB
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![BU of 8dlb by Molmil](/molmil-images/mine/8dlb) | Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z2799209083 | Descriptor: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase | Authors: | Kovalevsky, A.Y, Coates, L, Kneller, D.W. | Deposit date: | 2022-07-07 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2. J.Chem.Inf.Model., 63, 2023
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8DMD
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2NM1
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![BU of 2nm1 by Molmil](/molmil-images/mine/2nm1) | Structure of BoNT/B in complex with its protein receptor | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-2 | Authors: | Jin, R, Rummel, A, Binz, T, Brunger, A.T. | Deposit date: | 2006-10-20 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity. Nature, 444, 2006
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8EUA
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![BU of 8eua by Molmil](/molmil-images/mine/8eua) | Structure of SARS-CoV2 PLpro bound to a covalent inhibitor | Descriptor: | Papain-like protease nsp3, SULFATE ION, ZINC ION, ... | Authors: | Mathews, I.I, Pokhrel, S, Wakatsuki, S. | Deposit date: | 2022-10-18 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Potent and selective covalent inhibition of the papain-like protease from SARS-CoV-2. Nat Commun, 14, 2023
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6V2F
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![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | Descriptor: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | Deposit date: | 2019-11-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
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7SI9
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![BU of 7si9 by Molmil](/molmil-images/mine/7si9) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2021-10-12 | Release date: | 2021-10-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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1BJR
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![BU of 1bjr by Molmil](/molmil-images/mine/1bjr) | COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K | Descriptor: | CALCIUM ION, LACTOFERRIN, PROTEINASE K | Authors: | Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L. | Deposit date: | 1998-06-27 | Release date: | 1998-11-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K. Proteins, 33, 1998
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4P0T
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7LGD
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![BU of 7lgd by Molmil](/molmil-images/mine/7lgd) | HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | Deposit date: | 2021-01-20 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity, 54, 2021
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7LGT
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![BU of 7lgt by Molmil](/molmil-images/mine/7lgt) | HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 | Descriptor: | BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | Deposit date: | 2021-01-21 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity, 54, 2021
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6U7N
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![BU of 6u7n by Molmil](/molmil-images/mine/6u7n) | Crystal structure of neurotrimin (NTM) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Neurotrimin, ... | Authors: | Machius, M, Venkannagari, H, Misra, A, Rudenko, G, Rush, S. | Deposit date: | 2019-09-03 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.321 Å) | Cite: | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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1RXD
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![BU of 1rxd by Molmil](/molmil-images/mine/1rxd) | Crystal structure of human protein tyrosine phosphatase 4A1 | Descriptor: | protein tyrosine phosphatase type IVA, member 1; Protein tyrosine phosphatase IVA1 | Authors: | Sun, J.P, Fedorov, A.A, Almo, S.C, Zhang, Z.Y, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-12-18 | Release date: | 2004-12-28 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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4J47
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![BU of 4j47 by Molmil](/molmil-images/mine/4j47) | Crystal structure of XIAP-BIR2 domain with SVPI bound | Descriptor: | E3 ubiquitin-protein ligase XIAP, PEPTIDE (SER-VAL-PRO-ILE), ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
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4J3Y
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![BU of 4j3y by Molmil](/molmil-images/mine/4j3y) | Crystal structure of XIAP-BIR2 domain | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
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4J48
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![BU of 4j48 by Molmil](/molmil-images/mine/4j48) | Crystal structure of XIAP-BIR2 domain with AMRV bound | Descriptor: | E3 ubiquitin-protein ligase XIAP, GLYCEROL, PEPTIDE (ALA-MET-ARG-VAL), ... | Authors: | Gosu, R. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
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4J46
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![BU of 4j46 by Molmil](/molmil-images/mine/4j46) | Crystal structure of XIAP-BIR2 domain with AVPI bound | Descriptor: | E3 ubiquitin-protein ligase XIAP, PEPTIDE (ALA-VAL-PRO-ILE), ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-02-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The structure of XIAP BIR2: understanding the selectivity of the BIR domains. Acta Crystallogr.,Sect.D, 69, 2013
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4OUC
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![BU of 4ouc by Molmil](/molmil-images/mine/4ouc) | Structure of human haspin in complex with histone H3 substrate | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Histone H3.2, ... | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-02-15 | Release date: | 2014-04-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Modulation of the chromatin phosphoproteome by the haspin protein kinase. Mol Cell Proteomics, 13, 2014
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