4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | 分子名称: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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6FPI
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![BU of 6fpi by Molmil](/molmil-images/mine/6fpi) | Structure of fully reduced Hydrogenase (Hyd-1) variant E28Q | 分子名称: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | 登録日 | 2018-02-09 | 公開日 | 2018-12-19 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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8DSW
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6T2K
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![BU of 6t2k by Molmil](/molmil-images/mine/6t2k) | Furano[2,3-d]prymidine amides as Notum inhibitors | 分子名称: | 1,2-ETHANEDIOL, 2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2019-10-08 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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4ZM5
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![BU of 4zm5 by Molmil](/molmil-images/mine/4zm5) | Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant | 分子名称: | CHLORIDE ION, Chain length determinant protein, MAGNESIUM ION | 著者 | Ericsson, D.J, Chang, C.-W, Lonhienne, T, Casey, L, Benning, F, Kobe, B, Tran, E.N.H, Morona, R. | 登録日 | 2015-05-02 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri. Plos One, 10, 2015
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3P0Q
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![BU of 3p0q by Molmil](/molmil-images/mine/3p0q) | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | 分子名称: | N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine, SODIUM ION, SULFATE ION, ... | 著者 | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-09-29 | 公開日 | 2010-10-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors Nat.Biotechnol., 30, 2012
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1Y33
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![BU of 1y33 by Molmil](/molmil-images/mine/1y33) | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58P mutant | 分子名称: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | 著者 | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | 登録日 | 2004-11-23 | 公開日 | 2005-05-17 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2 Biochemistry, 44, 2005
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2CK3
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![BU of 2ck3 by Molmil](/molmil-images/mine/2ck3) | Azide inhibited bovine F1-ATPase | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ... | 著者 | Bowler, M.W, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | 登録日 | 2006-04-10 | 公開日 | 2006-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | How Azide Inhibits ATP Hydrolysis by the F-Atpases. Proc.Natl.Acad.Sci.USA, 103, 2006
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2XCT
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![BU of 2xct by Molmil](/molmil-images/mine/2xct) | The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA | 分子名称: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ... | 著者 | Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-25 | 公開日 | 2010-08-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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6GO1
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![BU of 6go1 by Molmil](/molmil-images/mine/6go1) | Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | 著者 | Giastas, P, Andreou, A, Eliopoulos, E.E. | 登録日 | 2018-06-01 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination. Acta Crystallogr.,Sect.F, 75, 2019
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7LZ3
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![BU of 7lz3 by Molmil](/molmil-images/mine/7lz3) | Computational design of constitutively active cGAS | 分子名称: | Cyclic GMP-AMP synthase, GLYCEROL, ZINC ION | 著者 | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | 登録日 | 2021-03-08 | 公開日 | 2022-03-16 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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4YLH
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![BU of 4ylh by Molmil](/molmil-images/mine/4ylh) | Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway | 分子名称: | DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | 著者 | Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D. | 登録日 | 2015-03-05 | 公開日 | 2015-08-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Oxygen diffusion pathways in a cofactor-independent dioxygenase. Chem Sci, 6, 2015
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3HJY
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![BU of 3hjy by Molmil](/molmil-images/mine/3hjy) | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA | 分子名称: | 5'-R(*GP*GP*AP*GP*CP*GP*UP*GP*CP*GP*GP*UP*UP*U)-3', 5'-R(*GP*GP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*CP*CP*GP*CP*GP*GP*CP*GP*C)-3', RNA (25-MER), ... | 著者 | Liang, B, Zhou, J, Kahen, E, Terns, R.M, Terns, M.P, Li, H. | 登録日 | 2009-05-22 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Structure of a functional ribonucleoprotein pseudouridine synthase bound to a substrate RNA Nat.Struct.Mol.Biol., 16, 2009
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4YWC
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![BU of 4ywc by Molmil](/molmil-images/mine/4ywc) | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | 分子名称: | Protein TIFY 7, Transcription factor MYC3 | 著者 | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | 登録日 | 2015-03-20 | 公開日 | 2015-08-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. Nature, 525, 2015
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7ZNZ
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![BU of 7znz by Molmil](/molmil-images/mine/7znz) | Crystal structure of unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | 分子名称: | FucOB, a GH95 family alpha-1,2-fucosidase, GLYCEROL | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | 登録日 | 2022-04-23 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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6MYZ
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![BU of 6myz by Molmil](/molmil-images/mine/6myz) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | 分子名称: | 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | 登録日 | 2018-11-02 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.661 Å) | 主引用文献 | Structure of Tdp1 catalytic domain in complex with compound XZ520 To Be Published
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6EML
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![BU of 6eml by Molmil](/molmil-images/mine/6eml) | Cryo-EM structure of a late pre-40S ribosomal subunit from Saccharomyces cerevisiae | 分子名称: | 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ... | 著者 | Heuer, A, Thomson, E, Schmidt, C, Berninghausen, O, Becker, T, Hurt, E, Beckmann, R. | 登録日 | 2017-10-02 | 公開日 | 2017-11-29 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Cryo-EM structure of a late pre-40S ribosomal subunit fromSaccharomyces cerevisiae. Elife, 6, 2017
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7ZIU
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7ZO0
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![BU of 7zo0 by Molmil](/molmil-images/mine/7zo0) | Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila | 分子名称: | GH95 family alpha-1,2-fucosidase, GLYCEROL | 著者 | Anso, I, Cifuente, J.O, Trastoy, B, Guerin, M.E. | 登録日 | 2022-04-23 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Turning universal O into rare Bombay type blood. Nat Commun, 14, 2023
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8F21
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![BU of 8f21 by Molmil](/molmil-images/mine/8f21) | Structure of a 30mer DegP cage bound to the client protein hTRF1 | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | 登録日 | 2022-11-06 | 公開日 | 2022-11-23 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (14.1 Å) | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP. J.Am.Chem.Soc., 145, 2023
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8F0A
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![BU of 8f0a by Molmil](/molmil-images/mine/8f0a) | Client-bound structure of a DegP trimer within a 12mer cage | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | 登録日 | 2022-11-02 | 公開日 | 2022-11-23 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP. J.Am.Chem.Soc., 145, 2023
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4Y7L
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![BU of 4y7l by Molmil](/molmil-images/mine/4y7l) | T6SS protein TssM C-terminal domain (869-1107) from EAEC | 分子名称: | GLYCEROL, Type VI secretion protein IcmF, ZINC ION | 著者 | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | 登録日 | 2015-02-15 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Biogenesis and structure of a type VI secretion membrane core complex. Nature, 523, 2015
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8F1T
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![BU of 8f1t by Molmil](/molmil-images/mine/8f1t) | Structure of an 18mer DegP cage bound to the client protein hTRF1 | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | 登録日 | 2022-11-06 | 公開日 | 2022-11-23 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (12.1 Å) | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP. J.Am.Chem.Soc., 145, 2023
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8F1U
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![BU of 8f1u by Molmil](/molmil-images/mine/8f1u) | Structure of a 24mer DegP cage bound to the client protein hTRF1 | 分子名称: | Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1 | 著者 | Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E. | 登録日 | 2022-11-06 | 公開日 | 2022-11-23 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (13.8 Å) | 主引用文献 | Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP. J.Am.Chem.Soc., 145, 2023
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6N19
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![BU of 6n19 by Molmil](/molmil-images/mine/6n19) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | 登録日 | 2018-11-08 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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