4UU9
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![BU of 4uu9 by Molmil](/molmil-images/mine/4uu9) | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | Descriptor: | COMPLEMENT C5, MEDI7814, SULFATE ION | Authors: | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | Deposit date: | 2014-07-25 | Release date: | 2015-08-12 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors. MAbs, 10, 2018
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8SO0
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![BU of 8so0 by Molmil](/molmil-images/mine/8so0) | Cryo-EM structure of the PP2A:B55-FAM122A complex | Descriptor: | FE (III) ION, PPP2R1A-PPP2R2A-interacting phosphatase regulator 1, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, ... | Authors: | Fuller, J.R, Padi, S.K.R, Peti, W, Page, R. | Deposit date: | 2023-04-28 | Release date: | 2023-10-25 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.79961 Å) | Cite: | Cryo-EM structures of PP2A:B55-FAM122A and PP2A:B55-ARPP19. Nature, 625, 2024
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1RB7
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3LUJ
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3LUS
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![BU of 3lus by Molmil](/molmil-images/mine/3lus) | Crystal structure of a putative organic hydroperoxide resistance protein with molecule of captopril bound in one of the active sites from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | L-CAPTOPRIL, Organic hydroperoxide resistance protein | Authors: | Nocek, B, Maltseva, N, Makowska-Grzyska, M, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-18 | Release date: | 2010-04-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of a putative organic hydroperoxide resistance protein with molecule of captopril bound in one of the active sites from Vibrio cholerae O1 biovar eltor str. N16961 TO BE PUBLISHED
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4W1V
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![BU of 4w1v by Molmil](/molmil-images/mine/4w1v) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | Authors: | Finzel, B.C, Dai, R. | Deposit date: | 2014-08-13 | Release date: | 2015-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis. Chem.Biol., 22, 2015
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1R1I
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![BU of 1r1i by Molmil](/molmil-images/mine/1r1i) | STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ZINC ION, ... | Authors: | Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E. | Deposit date: | 2003-09-24 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of neprilysin with various specific and potent inhibitors. Acta Crystallogr.,Sect.D, 60, 2004
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2ALC
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![BU of 2alc by Molmil](/molmil-images/mine/2alc) | ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING DOMAIN FROM ASPERGILLUS NIDULANS | Descriptor: | PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR), ZINC ION | Authors: | Cerdan, R, Cahuzac, B, Felenbok, B, Guittet, E. | Deposit date: | 1999-01-20 | Release date: | 2000-01-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of AlcR (1-60) provides insight in the unusual DNA binding properties of this zinc binuclear cluster protein. J.Mol.Biol., 295, 2000
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3LTV
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![BU of 3ltv by Molmil](/molmil-images/mine/3ltv) | Mouse-human sod1 chimera | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Taylor, A.B, Hart, P.J. | Deposit date: | 2010-02-16 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | Structures of mouse SOD1 and human/mouse SOD1 chimeras. Arch.Biochem.Biophys., 503, 2010
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2AUZ
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![BU of 2auz by Molmil](/molmil-images/mine/2auz) | Cathepsin K complexed with a semicarbazone inhibitor | Descriptor: | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE, Cathepsin K, SULFATE ION | Authors: | Adkison, K.K, Barrett, D.G, Deaton, D.N, Gampe, R.T, Hassell, A.M, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M. | Deposit date: | 2005-08-29 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg.Med.Chem.Lett., 16, 2006
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2MME
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![BU of 2mme by Molmil](/molmil-images/mine/2mme) | Hybrid structure of the Shigella flexneri MxiH Type three secretion system needle | Descriptor: | MxiH | Authors: | Demers, J.P, Habenstein, B, Loquet, A, Vasa, S.K, Becker, S, Baker, D, Lange, A, Sgourakis, N.G. | Deposit date: | 2014-03-14 | Release date: | 2014-10-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.7 Å), SOLID-STATE NMR | Cite: | High-resolution structure of the Shigella type-III secretion needle by solid-state NMR and cryo-electron microscopy. Nat Commun, 5, 2014
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2LUJ
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![BU of 2luj by Molmil](/molmil-images/mine/2luj) | Solution structure of a parallel-stranded oligoisoguanine DNA pentaplex formed by d(T(iG)4T) in the presence of Cs ions | Descriptor: | DNA (5'-D(*TP*(IGU)P*(IGU)P*(IGU)P*(IGU)P*T)-3') | Authors: | Kang, M, Heuberger, B, Chaput, J.C, Switzer, C, Feigon, J. | Deposit date: | 2012-06-14 | Release date: | 2012-07-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Parallel-Stranded Oligoisoguanine DNA Pentaplex Formed by d(T(iG)4T) in the Presence of Cs(+) Ions. Angew.Chem.Int.Ed.Engl., 51, 2012
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6WXD
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![BU of 6wxd by Molmil](/molmil-images/mine/6wxd) | SARS-CoV-2 Nsp9 RNA-replicase | Descriptor: | Non-structural protein 9, SULFATE ION | Authors: | Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J. | Deposit date: | 2020-05-10 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9. Iscience, 23, 2020
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1RJF
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![BU of 1rjf by Molmil](/molmil-images/mine/1rjf) | Structure of PPM1, a leucine carboxy methyltransferase involved in the regulation of protein phosphatase 2A activity | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, carboxy methyl transferase for protein phosphatase 2A catalytic subunit | Authors: | Leulliot, N, Quevillon-Cheruel, S, Sorel, I, de La Sierra-Gallay, I.L, Collinet, B, Graille, M, Blondeau, K, Bettache, N, Poupon, A, Janin, J, van Tilbeurgh, H. | Deposit date: | 2003-11-19 | Release date: | 2003-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of protein phosphatase methyltransferase 1 (PPM1), a leucine carboxyl methyltransferase involved in the regulation of protein phosphatase 2A activity J.Biol.Chem., 279, 2004
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6X3N
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![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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1R1H
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![BU of 1r1h by Molmil](/molmil-images/mine/1r1h) | STRUCTURAL ANALYSIS OF NEPRILYSIN WITH VARIOUS SPECIFIC AND POTENT INHIBITORS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, Neprilysin, ... | Authors: | Oefner, C, Roques, B.P, Fournie-Zaluski, M.C, Dale, G.E. | Deposit date: | 2003-09-24 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analysis of neprilysin with various specific and potent inhibitors. Acta Crystallogr.,Sect.D, 60, 2004
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6WJJ
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![BU of 6wjj by Molmil](/molmil-images/mine/6wjj) | Anthrax octamer prechannel bound to full-length lethal factor | Descriptor: | CALCIUM ION, Lethal factor, Protective antigen, ... | Authors: | Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H. | Deposit date: | 2020-04-13 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors. Structure, 28, 2020
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5KPN
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![BU of 5kpn by Molmil](/molmil-images/mine/5kpn) | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L. | Deposit date: | 2016-07-05 | Release date: | 2016-12-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor To Be Published
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7P2S
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![BU of 7p2s by Molmil](/molmil-images/mine/7p2s) | Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative | Descriptor: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | Authors: | Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G. | Deposit date: | 2021-07-06 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors. J.Biol.Chem., 298, 2022
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1RQL
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![BU of 1rql by Molmil](/molmil-images/mine/1rql) | Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate | Descriptor: | MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID | Authors: | Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2003-12-05 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic and site-directed mutagenesis
analysis of the mechanism of Schiff-base formation in
phosphonoacetaldehyde hydrolase catalysis J.Biol.Chem., 279, 2004
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4V45
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![BU of 4v45 by Molmil](/molmil-images/mine/4v45) | E. COLI (lacZ) BETA-GALACTOSIDASE-TRAPPED 2-F-GALACTOSYL-ENZYME INTERMEDIATE | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose, Beta-Galactosidase, MAGNESIUM ION, ... | Authors: | Juers, D.H, McCarter, J.D, Withers, S.G, Matthews, B.W. | Deposit date: | 2001-09-13 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
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3MH0
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![BU of 3mh0 by Molmil](/molmil-images/mine/3mh0) | Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state | Descriptor: | Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
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2B7D
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![BU of 2b7d by Molmil](/molmil-images/mine/2b7d) | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | Deposit date: | 2005-10-04 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model. Bioorg.Med.Chem.Lett., 16, 2006
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1RU7
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![BU of 1ru7 by Molmil](/molmil-images/mine/1ru7) | 1934 Human H1 Hemagglutinin | Descriptor: | hemagglutinin | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | Deposit date: | 2003-12-11 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin. Science, 303, 2004
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2LZG
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![BU of 2lzg by Molmil](/molmil-images/mine/2lzg) | NMR Structure of Mdm2 (6-125) with Pip-1 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L. | Deposit date: | 2012-10-02 | Release date: | 2012-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors. J.Am.Chem.Soc., 134, 2012
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