4UW0
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6E2Y
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![BU of 6e2y by Molmil](/molmil-images/mine/6e2y) | MDDEF in complex with MVAPP, ADP, sulfate and cobalt. Anomalous data | Descriptor: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, ... | Authors: | Stauffacher, C.V, Chen, C.-L. | Deposit date: | 2018-07-12 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Visualizing the enzyme mechanism of mevalonate diphosphate decarboxylase. Nat Commun, 11, 2020
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7YOD
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4UYD
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![BU of 4uyd by Molmil](/molmil-images/mine/4uyd) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2014-08-30 | Release date: | 2014-09-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 5, 2014
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4UZS
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![BU of 4uzs by Molmil](/molmil-images/mine/4uzs) | Crystal structure of Bifidobacterium bifidum beta-galactosidase | Descriptor: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I. | Deposit date: | 2014-09-08 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpah-Galactose. FEBS J., 283, 2016
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6E31
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![BU of 6e31 by Molmil](/molmil-images/mine/6e31) | Crystal structure of RIAM in an autoinhibited configuration. | Descriptor: | Rap1-interacting adapter molecule | Authors: | Chang, Y.C, Su, W, Zhang, H, Huang, Q, Philips, M.R, Wu, J. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3MFV
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6E37
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![BU of 6e37 by Molmil](/molmil-images/mine/6e37) | O-GlcNAc Transferase in complex with covalent inhibitor | Descriptor: | (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), O-GlcNAc transferase subunit p110, TYR-PRO-GLY-GLY-SER-THR-PRO-VAL-SER-SER-ALA-ASN | Authors: | Li, H, Jiang, J. | Deposit date: | 2018-07-13 | Release date: | 2019-11-06 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.531 Å) | Cite: | Targeted covalent inhibition of O-GlcNAc transferase in cells. Chem.Commun.(Camb.), 55, 2019
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4USM
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![BU of 4usm by Molmil](/molmil-images/mine/4usm) | WcbL complex with glycerol bound to sugar site | Descriptor: | CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE | Authors: | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | Deposit date: | 2014-07-10 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery. Chem.Biol., 22, 2015
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4V3X
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![BU of 4v3x by Molmil](/molmil-images/mine/4v3x) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine | Descriptor: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-10-20 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4UTM
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![BU of 4utm by Molmil](/molmil-images/mine/4utm) | XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 8-HYDROXYCOUMARIN, SULFATE ION, ... | Authors: | Werther, T, Dobbek, H. | Deposit date: | 2014-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
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6E3A
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![BU of 6e3a by Molmil](/molmil-images/mine/6e3a) | tRNA 2'-phosphotransferase | Descriptor: | COENZYME A, Probable RNA 2'-phosphotransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of tRNA splicing enzyme Tpt1 illuminates the mechanism of RNA 2'-PO4recognition and ADP-ribosylation. Nat Commun, 10, 2019
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6EJ6
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7YOM
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![BU of 7yom by Molmil](/molmil-images/mine/7yom) | Crystal structure of tetra mutant (D67E,A68P,L98I,A301S) of O-acetylserine sulfhydrylase from Salmonella typhimurium in complex with high-affinity inhibitory peptide from serine acetyltransferase of Salmonella typhimurium at 2.8 A | Descriptor: | Cysteine synthase, peptide from serine acetyltransferase | Authors: | Saini, N, Kumar, N, Rahisuddin, R, Singh, A.K. | Deposit date: | 2022-08-01 | Release date: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of I88L single mutant of O-acetylserine sulfhydrylase from Haemophilus influenzae in complex with high-affinity inhibitory peptide from serine acetyltransferase of Salmonella typhimurium at 2.14 A To Be Published
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4UVY
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![BU of 4uvy by Molmil](/molmil-images/mine/4uvy) | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UYI
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![BU of 4uyi by Molmil](/molmil-images/mine/4uyi) | Crystal structure of the BTB domain of human SLX4 (BTBD12) | Descriptor: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | Authors: | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-09-01 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12) To be Published
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4V02
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![BU of 4v02 by Molmil](/molmil-images/mine/4v02) | MinC:MinD cell division protein complex, Aquifex aeolicus | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ... | Authors: | Ghosal, D, Lowe, J. | Deposit date: | 2014-09-10 | Release date: | 2015-01-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments. Nat.Commun., 5, 2014
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4UR3
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![BU of 4ur3 by Molmil](/molmil-images/mine/4ur3) | Crystal structure of the PCE reductive dehalogenase from S. multivorans P2(1) crystal form | Descriptor: | IRON/SULFUR CLUSTER, NORPSEUDO-B12, TETRACHLOROETHENE REDUCTIVE DEHALOGENASE CATALYTIC SUBUNIT | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | Deposit date: | 2014-06-25 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.235 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
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4UR2
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![BU of 4ur2 by Molmil](/molmil-images/mine/4ur2) | Crystal structure of the PCE reductive dehalogenase from S. multivorans in complex with iodide | Descriptor: | GLYCEROL, IODIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Bommer, M, Kunze, C, Fesseler, J, Schubert, T, Diekert, G, Dobbek, H. | Deposit date: | 2014-06-25 | Release date: | 2014-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structural Basis for Organohalide Respiration. Science, 346, 2014
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4UUY
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![BU of 4uuy by Molmil](/molmil-images/mine/4uuy) | Structural Identification of the Vps18 beta-propeller reveals a critical role in the HOPS complex stability and function. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Behrmann, H, Gohlke, U, Heinemann, U. | Deposit date: | 2014-08-01 | Release date: | 2014-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Identification of the Vps18 Beta-Propeller Reveals a Critical Role in the Hops Complex Stability and Function. J.Biol.Chem., 289, 2014
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4UXJ
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![BU of 4uxj by Molmil](/molmil-images/mine/4uxj) | Leishmania major Thymidine Kinase in complex with dTTP | Descriptor: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2014-08-22 | Release date: | 2015-05-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major. Plos Negl Trop Dis, 9, 2015
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4UVW
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![BU of 4uvw by Molmil](/molmil-images/mine/4uvw) | Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UZZ
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![BU of 4uzz by Molmil](/molmil-images/mine/4uzz) | Crystal structure of the TtIFT52-46 complex | Descriptor: | INTRAFLAGELLAR TRANSPORT COMPLEX B PROTEIN 46 CARBOXY-TERMINAL PROTEIN, INTRAFLAGELLAR TRANSPORTER-LIKE PROTEIN | Authors: | Braeuer, P, Taschner, M, Lorentzen, E. | Deposit date: | 2014-09-09 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.318 Å) | Cite: | Crystal Structures of Ift70/52 and Ift52/46 Provide Insight Into Intraflagellar Transport B Core Complex Assembly. J.Cell Biol., 207, 2014
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7YUF
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![BU of 7yuf by Molmil](/molmil-images/mine/7yuf) | apo human SPNS2 | Descriptor: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | Authors: | He, Y, Duan, Y. | Deposit date: | 2022-08-17 | Release date: | 2023-09-06 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
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6ELM
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![BU of 6elm by Molmil](/molmil-images/mine/6elm) | Crystal structure of the human WNK2 CCT1 domain | Descriptor: | Serine/threonine-protein kinase WNK2 | Authors: | Pinkas, D.M, Bufton, J.C, Newman, J.A, Chalk, R, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2017-09-29 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Crystal structure of the human WNK2 CCT1 domain To Be Published
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