6WR0
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![BU of 6wr0 by Molmil](/molmil-images/mine/6wr0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | 分子名称: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-04-29 | 公開日 | 2021-05-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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8PYV
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![BU of 8pyv by Molmil](/molmil-images/mine/8pyv) | Structure of Human PS-1 GSH-analog complex, solved at wavelength 2.755 A | 分子名称: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine, PALMITIC ACID, Prostaglandin E synthase | 著者 | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A, Vogeley, L, Brown, D.G. | 登録日 | 2023-07-26 | 公開日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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5JQU
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![BU of 5jqu by Molmil](/molmil-images/mine/5jqu) | Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX | 著者 | Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. | 登録日 | 2016-05-05 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.162 Å) | 主引用文献 | An Evolved Orthogonal Enzyme/Cofactor Pair. J.Am.Chem.Soc., 138, 2016
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1GT7
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![BU of 1gt7 by Molmil](/molmil-images/mine/1gt7) | L-rhamnulose-1-phosphate aldolase from Escherichia coli | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, RHAMNULOSE-1-PHOSPHATE ALDOLASE, ZINC ION | 著者 | Kroemer, M, Schulz, G.E. | 登録日 | 2002-01-14 | 公開日 | 2002-05-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Structure of L-Rhamnulose-1-Phosphate Aldolase (Class II) Solved by Low-Resolution Sir Phasing and 20-Fold Ncs Averaging Acta Crystallogr.,Sect.D, 58, 2002
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6WW0
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![BU of 6ww0 by Molmil](/molmil-images/mine/6ww0) | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | 分子名称: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | 登録日 | 2020-05-07 | 公開日 | 2021-05-26 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6QZ1
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![BU of 6qz1 by Molmil](/molmil-images/mine/6qz1) | Structure of MHETase from Ideonella sakaiensis | 分子名称: | BENZOIC ACID, CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase | 著者 | Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E. | 登録日 | 2019-03-10 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Characterization and engineering of a two-enzyme system for plastics depolymerization. Proc.Natl.Acad.Sci.USA, 117, 2020
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6O8Z
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5KND
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![BU of 5knd by Molmil](/molmil-images/mine/5knd) | Crystal structure of the Pi-bound V1 complex | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | 著者 | Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. | 登録日 | 2016-06-28 | 公開日 | 2016-11-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.888 Å) | 主引用文献 | Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor Nat Commun, 7, 2016
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4U9M
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![BU of 4u9m by Molmil](/molmil-images/mine/4u9m) | |
4TVX
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![BU of 4tvx by Molmil](/molmil-images/mine/4tvx) | Crystal structure of the E. coli CRISPR RNA-guided surveillance complex, Cascade | 分子名称: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | 著者 | Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B. | 登録日 | 2014-06-28 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | 主引用文献 | Structural biology. Crystal structure of the CRISPR RNA-guided surveillance complex from Escherichia coli. Science, 345, 2014
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8U8Q
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![BU of 8u8q by Molmil](/molmil-images/mine/8u8q) | V290N/S292F Streptomyces coelicolor Laccase | 分子名称: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | 著者 | Wang, J.-X, Lu, Y. | 登録日 | 2023-09-18 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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6R6F
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![BU of 6r6f by Molmil](/molmil-images/mine/6r6f) | Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | 分子名称: | 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-03-27 | 公開日 | 2019-12-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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8U8P
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![BU of 8u8p by Molmil](/molmil-images/mine/8u8p) | S292F Streptomyces coelicolor Laccase | 分子名称: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | 著者 | Wang, J.-X, Lu, Y. | 登録日 | 2023-09-18 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8S
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![BU of 8u8s by Molmil](/molmil-images/mine/8u8s) | Y229F/S292F Streptomyces coelicolor Laccase | 分子名称: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | 著者 | Wang, J.-X, Lu, Y. | 登録日 | 2023-09-18 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8T
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![BU of 8u8t by Molmil](/molmil-images/mine/8u8t) | Y229F/V290N Streptomyces coelicolor Laccase | 分子名称: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | 著者 | Wang, J.-X, Lu, Y. | 登録日 | 2023-09-18 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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8U8R
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![BU of 8u8r by Molmil](/molmil-images/mine/8u8r) | Y229F/V290N/S292F Streptomyces coelicolor Laccase | 分子名称: | BORIC ACID, COPPER (II) ION, Copper oxidase, ... | 著者 | Wang, J.-X, Lu, Y. | 登録日 | 2023-09-18 | 公開日 | 2023-11-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations. Angew.Chem.Int.Ed.Engl., 62, 2023
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5L8C
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![BU of 5l8c by Molmil](/molmil-images/mine/5l8c) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039 | 分子名称: | 4-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(2-azanyl-2-oxidanylidene-ethyl)benzamide, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | 著者 | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | 登録日 | 2016-06-07 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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8P2Z
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![BU of 8p2z by Molmil](/molmil-images/mine/8p2z) | Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | 登録日 | 2023-05-16 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2. Nat Commun, 15, 2024
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1H48
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![BU of 1h48 by Molmil](/molmil-images/mine/1h48) | The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product | 分子名称: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ... | 著者 | Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N. | 登録日 | 2003-02-24 | 公開日 | 2004-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods Acta Crystallogr.,Sect.D, 61, 2005
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8UEE
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![BU of 8uee by Molmil](/molmil-images/mine/8uee) | Atomic structure of Salmonella SipA/F-actin complex by cryo-EM | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Niedzialkowska, E, Runyan, L, Kudryashova, E, Kudryashov, D.S, Egelman, E.H. | 登録日 | 2023-10-01 | 公開日 | 2023-12-27 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Stabilization of F-actin by Salmonella effector SipA resembles the structural effects of inorganic phosphate and phalloidin. Structure, 32, 2024
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8UDV
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![BU of 8udv by Molmil](/molmil-images/mine/8udv) | The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | 分子名称: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | 登録日 | 2023-09-29 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.348 Å) | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
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8QU9
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![BU of 8qu9 by Molmil](/molmil-images/mine/8qu9) | Structure of the NCOA4 (Nuclear Receptor Coactivator 4)-FTH1 (H-Ferritin) complex | 分子名称: | FE (III) ION, Ferritin heavy chain, NCOA4 (Nuclear Receptor Coactivator 4) | 著者 | Hoelzgen, F, Klukin, E, Zalk, R, Shahar, A, Cohen-Schwartz, S, Frank, G.A. | 登録日 | 2023-10-15 | 公開日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural basis for the intracellular regulation of ferritin degradation. Nat Commun, 15, 2024
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2HMI
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![BU of 2hmi by Molmil](/molmil-images/mine/2hmi) | HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX | 分子名称: | DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ... | 著者 | Ding, J, Arnold, E. | 登録日 | 1998-04-10 | 公開日 | 1998-10-14 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution. J.Mol.Biol., 284, 1998
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1HQA
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![BU of 1hqa by Molmil](/molmil-images/mine/1hqa) | ALKALINE PHOSPHATASE (H412Q) | 分子名称: | ALKALINE PHOSPHATASE, ZINC ION | 著者 | Ma, L, Kantrowitz, E.R. | 登録日 | 1995-11-30 | 公開日 | 1996-03-08 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Kinetic and X-ray structural studies of a mutant Escherichia coli alkaline phosphatase (His-412-->Gln) at one of the zinc binding sites. Biochemistry, 35, 1996
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6DF9
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![BU of 6df9 by Molmil](/molmil-images/mine/6df9) | Kaiso (ZBTB33) E535Q zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS) | 分子名称: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | 著者 | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | 登録日 | 2018-05-14 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | 主引用文献 | A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences. Biochemistry, 2020
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