6DW4
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![BU of 6dw4 by Molmil](/molmil-images/mine/6dw4) | SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket | Descriptor: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | Deposit date: | 2018-06-26 | Release date: | 2018-10-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2G7B
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6DDS
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![BU of 6dds by Molmil](/molmil-images/mine/6dds) | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ... | Authors: | Hajian, B, Wright, D, Scocchera, E. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6KQU
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![BU of 6kqu by Molmil](/molmil-images/mine/6kqu) | Crystal structure of phospholipase A2 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, T, Liu, J. | Deposit date: | 2019-08-18 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE. Biochimie, 176, 2020
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6D9A
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6L9C
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![BU of 6l9c by Molmil](/molmil-images/mine/6l9c) | Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | Authors: | Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L4P
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![BU of 6l4p by Molmil](/molmil-images/mine/6l4p) | Crystal structure of the complex between the axonemal outer-arm dynein light chain-1 and microtubule binding domain of gamma heavy chain | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dynein light chain 1, axonemal, ... | Authors: | Toda, A, Nishikawa, Y, Tanaka, H, Yagi, T, Kurisu, G. | Deposit date: | 2019-10-19 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | The complex of outer-arm dynein light chain-1 and the microtubule-binding domain of the gamma heavy chain shows how axonemal dynein tunes ciliary beating. J.Biol.Chem., 295, 2020
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6L18
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6KV0
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![BU of 6kv0 by Molmil](/molmil-images/mine/6kv0) | Ferredoxin I from C. reinhardtii, high X-ray dose | Descriptor: | BENZAMIDINE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Onishi, Y, Kurisu, G, Tanaka, H. | Deposit date: | 2019-09-03 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray dose-dependent structural changes of the [2Fe-2S] ferredoxin from Chlamydomonas reinhardtii. J.Biochem., 167, 2020
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8EWH
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![BU of 8ewh by Molmil](/molmil-images/mine/8ewh) | Salmonella typhimurium GTPase BIPA | Descriptor: | 50S ribosomal subunit assembly factor BipA, SODIUM ION | Authors: | Brown, R.S, deLivron, M.A, Robinson, V.L. | Deposit date: | 2022-10-23 | Release date: | 2022-11-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystallographic and Biochemical Characterization of the GTPase and Ribosome Binding Properties of Salmonella typhimuirum BipA J Biomol Struct Dyn., 24:6, 2007
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6KUM
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![BU of 6kum by Molmil](/molmil-images/mine/6kum) | Ferredoxin I from C. reinhardtii, low X-ray dose | Descriptor: | BENZAMIDINE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Onishi, Y, Kurisu, G, Tanaka, H. | Deposit date: | 2019-09-02 | Release date: | 2020-05-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray dose-dependent structural changes of the [2Fe-2S] ferredoxin from Chlamydomonas reinhardtii. J.Biochem., 167, 2020
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4XTN
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![BU of 4xtn by Molmil](/molmil-images/mine/4xtn) | Crystal structure of the light-driven sodium pump KR2 in the pentameric red form, pH 4.9 | Descriptor: | EICOSANE, SODIUM ION, Sodium pumping rhodopsin, ... | Authors: | Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V. | Deposit date: | 2015-01-23 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a light-driven sodium pump. Nat.Struct.Mol.Biol., 22, 2015
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3H42
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![BU of 3h42 by Molmil](/molmil-images/mine/3h42) | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | Descriptor: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | Deposit date: | 2009-04-17 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
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3GYY
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3H5B
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![BU of 3h5b by Molmil](/molmil-images/mine/3h5b) | Crystal structure of wild type HIV-1 protease with novel P1'-ligand GRL-02031 | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Tie, Y, Wang, Y.F, Weber, I.T. | Deposit date: | 2009-04-21 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies. J.Med.Chem., 52, 2009
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4V44
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![BU of 4v44 by Molmil](/molmil-images/mine/4v44) | E. COLI (lacZ) BETA-GALACTOSIDASE IN COMPLEX WITH 2-F-LACTOSE | Descriptor: | 2-deoxy-2-fluoro-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, 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 (2.7 Å) | Cite: | A Structural View of the Action of Escherichia Coli (Lacz) Beta-Galactosidase Biochemistry, 40, 2001
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3HC9
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![BU of 3hc9 by Molmil](/molmil-images/mine/3hc9) | Ferric Horse Heart Myoglobin; H64V mutant | Descriptor: | Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Yi, J, Thomas, L.M, Richter-Addo, G.B. | Deposit date: | 2009-05-05 | Release date: | 2009-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron. J.Am.Chem.Soc., 131, 2009
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4V2P
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![BU of 4v2p by Molmil](/molmil-images/mine/4v2p) | Ketosynthase MxnB | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, KETOSYNTHASE, ... | Authors: | Koehnke, J. | Deposit date: | 2014-10-13 | Release date: | 2015-08-26 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | In vitro reconstitution of alpha-pyrone ring formation in myxopyronin biosynthesis. Chem Sci, 6, 2015
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4V0V
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![BU of 4v0v by Molmil](/molmil-images/mine/4v0v) | The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-660) | Descriptor: | MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT, ... | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | Deposit date: | 2014-09-18 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases. Elife, 4, 2015
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4US6
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![BU of 4us6 by Molmil](/molmil-images/mine/4us6) | New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L. | Deposit date: | 2014-07-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.), 51, 2015
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3H8J
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6Z9Z
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![BU of 6z9z by Molmil](/molmil-images/mine/6z9z) | Atomic resolution X-ray structure of the Uridine phosphorylase from Vibrio cholerae on crystals grown under microgravity | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Eistrikh-Heller, P.A, Rubinsky, S.V, Samygina, V.R, Gabdulkhakov, A.G, Lashkov, A.A. | Deposit date: | 2020-06-04 | Release date: | 2021-06-30 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystallization in Microgravity and the Atomic-Resolution Structure of Uridine Phosphorylase from Vibrio cholerae Crystallography Reports, 66, 2021
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4UYR
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![BU of 4uyr by Molmil](/molmil-images/mine/4uyr) | X-ray structure of the N-terminal domain of the flocculin Flo11 from Saccharomyces cerevisiae | Descriptor: | FLOCCULATION PROTEIN FLO11, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Veelders, M, Kraushaar, T, Brueckner, S, Rhinow, D, Moesch, H.U, Essen, L.O. | Deposit date: | 2014-09-03 | Release date: | 2015-08-12 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands. Structure, 23, 2015
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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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4UU5
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![BU of 4uu5 by Molmil](/molmil-images/mine/4uu5) | CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF PALS1 IN COMPLEX WITH THE CRB PEPTIDE | Descriptor: | 2,2,4,4,6,6,8-heptamethylnonane, CHLORIDE ION, MAGUK P55 SUBFAMILY MEMBER 5, ... | Authors: | Ivanova, M.E, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2014-07-24 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structures of the human Pals1 PDZ domain with and without ligand suggest gated access of Crb to the PDZ peptide-binding groove. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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