3H3F
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![BU of 3h3f by Molmil](/molmil-images/mine/3h3f) | Rabbit muscle L-lactate dehydrogenase in complex with NADH and oxamate | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, L-lactate dehydrogenase A chain, ... | Authors: | Bujacz, A, Bujacz, G, Swiderek, K, Paneth, P. | Deposit date: | 2009-04-16 | Release date: | 2009-09-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Modeling of isotope effects on binding oxamate to lactic dehydrogenase J.Phys.Chem.B, 113, 2009
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7ZBU
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![BU of 7zbu by Molmil](/molmil-images/mine/7zbu) | CryoEM structure of SARS-CoV-2 spike monomer in complex with neutralising antibody P008_60 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, P008_60 antibody, ... | Authors: | Rosa, A, Pye, V.E, Cronin, N, Cherepanov, P. | Deposit date: | 2022-03-24 | Release date: | 2022-08-17 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | A neutralizing epitope on the SD1 domain of SARS-CoV-2 spike targeted following infection and vaccination. Cell Rep, 40, 2022
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8POE
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![BU of 8poe by Molmil](/molmil-images/mine/8poe) | Structure of tissue-specific lipid scramblase ATG9B homotrimer, refined with C3 symmetry applied | Descriptor: | Autophagy-related protein 9B | Authors: | Chiduza, G.N, Pye, V.E, Tooze, S.A, Cherepanov, P. | Deposit date: | 2023-07-04 | Release date: | 2023-11-15 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | ATG9B is a tissue-specific homotrimeric lipid scramblase that can compensate for ATG9A. Autophagy, 20, 2024
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7RXQ
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![BU of 7rxq by Molmil](/molmil-images/mine/7rxq) | Crystal structure of junctophilin-2 in complex with a CaV1.1 peptide | Descriptor: | ETHANOL, Junctophilin-2 N-terminal fragment, SULFATE ION, ... | Authors: | Yang, Z, Panwar, P, Van Petegem, F. | Deposit date: | 2021-08-23 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
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2FDA
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![BU of 2fda by Molmil](/molmil-images/mine/2fda) | Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand | Descriptor: | BICARBONATE ION, Coagulation factor XI, N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE, ... | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-12-13 | Release date: | 2006-04-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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5FRM
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![BU of 5frm by Molmil](/molmil-images/mine/5frm) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5ME9
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![BU of 5me9 by Molmil](/molmil-images/mine/5me9) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1. | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5FRO
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![BU of 5fro by Molmil](/molmil-images/mine/5fro) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ446 (compound 4f) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-[2-(phenylsulfonyl)ethyl]-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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5FRN
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![BU of 5frn by Molmil](/molmil-images/mine/5frn) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ419 (compound 4c) | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP *AP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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4N2X
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![BU of 4n2x by Molmil](/molmil-images/mine/4n2x) | Crystal Structure of DL-2-haloacid dehalogenase | Descriptor: | DL-2-haloacid dehalogenase, GLYCEROL | Authors: | Siwek, A, Omi, R, Hirotsu, K, Jitsumori, K, Esaki, N, Kurihara, T, Paneth, P. | Deposit date: | 2013-10-06 | Release date: | 2013-11-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Binding modes of DL-2-haloacid dehalogenase revealed by crystallography, modeling and isotope effects studies. Arch.Biochem.Biophys., 540, 2013
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3TOF
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![BU of 3tof by Molmil](/molmil-images/mine/3tof) | HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121) | Descriptor: | (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Ajele, J.O, Demitri, N, Randaccio, L, Wuerges, J, Benedetti, L, Campaner, P, Berti, F. | Deposit date: | 2011-09-05 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals. Molecules, 21, 2016
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5MEC
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5MEA
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![BU of 5mea by Molmil](/molmil-images/mine/5mea) | Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2. | Descriptor: | Cell division cycle protein CDT1, GLYCEROL, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5MEB
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![BU of 5meb by Molmil](/molmil-images/mine/5meb) | Crystal structure of yeast Cdt1 C-terminal domain | Descriptor: | Cell division cycle protein CDT1, SULFATE ION | Authors: | Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P. | Deposit date: | 2016-11-14 | Release date: | 2017-05-17 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cdt1 stabilizes an open MCM ring for helicase loading. Nat Commun, 8, 2017
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5GNZ
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![BU of 5gnz by Molmil](/molmil-images/mine/5gnz) | The M3 mutant structure of Bgl6 | Descriptor: | Beta-glucosidase, GLYCEROL, beta-D-glucopyranose | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | Deposit date: | 2016-07-25 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism. J. Struct. Biol., 198, 2017
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1NU9
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![BU of 1nu9 by Molmil](/molmil-images/mine/1nu9) | Staphylocoagulase-Prethrombin-2 complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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1NU7
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![BU of 1nu7 by Molmil](/molmil-images/mine/1nu7) | Staphylocoagulase-Thrombin Complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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5M9U
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![BU of 5m9u by Molmil](/molmil-images/mine/5m9u) | |
7U32
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![BU of 7u32 by Molmil](/molmil-images/mine/7u32) | MVV cleaved synaptic complex (CSC) intasome at 3.4 A resolution | Descriptor: | CALCIUM ION, DNA EV272, DNA EV273, ... | Authors: | Shan, Z, Pye, V.E, Cherepanov, P, Lyumkis, D. | Deposit date: | 2022-02-25 | Release date: | 2022-05-11 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Multivalent interactions essential for lentiviral integrase function. Nat Commun, 13, 2022
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6FMB
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1U59
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![BU of 1u59 by Molmil](/molmil-images/mine/1u59) | Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine | Descriptor: | STAUROSPORINE, Tyrosine-protein kinase ZAP-70 | Authors: | Jin, L, Pluskey, S, Petrella, E.C, Cantin, S.M, Gorga, J.C, Rynkiewicz, M.J, Pandey, P, Strickler, J.E, Babine, R.E, Weaver, D.T, Seidl, K.J. | Deposit date: | 2004-07-27 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Three-dimensional Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine: IMPLICATIONS FOR THE DESIGN OF SELECTIVE INHIBITORS J.Biol.Chem., 279, 2004
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5H0K
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5H0J
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5GNY
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![BU of 5gny by Molmil](/molmil-images/mine/5gny) | The structure of WT Bgl6 | Descriptor: | Beta-glucosidase, beta-D-glucopyranose | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | Deposit date: | 2016-07-25 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism. J. Struct. Biol., 198, 2017
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5GNX
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![BU of 5gnx by Molmil](/molmil-images/mine/5gnx) | The E171Q mutant structure of Bgl6 | Descriptor: | Beta-glucosidase, GLYCEROL, PROPANOIC ACID, ... | Authors: | Xie, W, Pang, P, Cao, L.C, Liu, Y.H, Wang, Z. | Deposit date: | 2016-07-25 | Release date: | 2017-04-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of a glucose-tolerant beta-glucosidase provide insights into its mechanism. J. Struct. Biol., 198, 2017
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