7FAI
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![BU of 7fai by Molmil](/molmil-images/mine/7fai) | CARM1 bound with compound 9 | 分子名称: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | 著者 | Cao, D.Y, Li, J, Xiong, B. | 登録日 | 2021-07-06 | 公開日 | 2021-11-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.09749269 Å) | 主引用文献 | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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4PRJ
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6B7O
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![BU of 6b7o by Molmil](/molmil-images/mine/6b7o) | Crystal structure of Legionella effector sdeD (lpg2509) H67A in complex with ADP-ribosylated Ubiquitin | 分子名称: | Polyubiquitin-C, SdeD (lpg2509) H67A, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Mao, Y, Akturk, A, Wasilko, J. | 登録日 | 2017-10-04 | 公開日 | 2018-04-18 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector. Nature, 557, 2018
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4PQN
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![BU of 4pqn by Molmil](/molmil-images/mine/4pqn) | ITK kinase domain with compound GNE-9822 | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-03-03 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
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6B7P
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5TSU
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![BU of 5tsu by Molmil](/molmil-images/mine/5tsu) | Active conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine | 分子名称: | CYSTEINE, Cystathionine gamma-lyase, METHIONINE, ... | 著者 | Yan, W, Zhang, Y. | 登録日 | 2016-10-31 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site. Biochemistry, 56, 2017
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1G67
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![BU of 1g67 by Molmil](/molmil-images/mine/1g67) | THIAMIN PHOSPHATE SYNTHASE | 分子名称: | 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ... | 著者 | Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E. | 登録日 | 2000-11-03 | 公開日 | 2001-09-26 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase. Biochemistry, 40, 2001
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3TSC
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7TPD
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![BU of 7tpd by Molmil](/molmil-images/mine/7tpd) | Integrin alaphIIBbeta3 complex with EF5154 | 分子名称: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-25 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7U9V
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![BU of 7u9v by Molmil](/molmil-images/mine/7u9v) | Integrin alaphIIBbeta3 complex with BMS4-1 | 分子名称: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-03-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25492167 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7THO
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![BU of 7tho by Molmil](/molmil-images/mine/7tho) | Integrin alaphIIBbeta3 complex with Eptifibatide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-11 | 公開日 | 2022-08-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7TMZ
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![BU of 7tmz by Molmil](/molmil-images/mine/7tmz) | Integrin alaphIIBbeta3 complex with BMS compound 4 | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | 登録日 | 2022-01-20 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.20002 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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7U9F
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![BU of 7u9f by Molmil](/molmil-images/mine/7u9f) | Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+ | 分子名称: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A. | 登録日 | 2022-03-10 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.70000529 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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5Y53
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7U60
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![BU of 7u60 by Molmil](/molmil-images/mine/7u60) | Integrin alaphIIBbeta3 complex with cRGDfV | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | 著者 | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | 登録日 | 2022-03-03 | 公開日 | 2022-08-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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5Y6F
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![BU of 5y6f by Molmil](/molmil-images/mine/5y6f) | Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR, SULFATE ION | 著者 | Hou, Y.J, Wang, D.C, Li, D.F. | 登録日 | 2017-08-11 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into the mechanism of c-di-GMP-bound YcgR regulating flagellar motility inEscherichia coli. J.Biol.Chem., 295, 2020
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3FE5
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![BU of 3fe5 by Molmil](/molmil-images/mine/3fe5) | Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney | 分子名称: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION | 著者 | Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D. | 登録日 | 2008-11-27 | 公開日 | 2009-06-09 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase. Biopolymers, 2009
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7XH4
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![BU of 7xh4 by Molmil](/molmil-images/mine/7xh4) | Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis complex with safracin A | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Safracin A, Uncharacterized protein sfcH | 著者 | Ma, X, Shao, N, Zhang, Y, Yang, D, Ma, M, Tang, G. | 登録日 | 2022-04-07 | 公開日 | 2023-02-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis. Acta Pharm Sin B, 13, 2023
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7CGN
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![BU of 7cgn by Molmil](/molmil-images/mine/7cgn) | The overall structure of the MlaFEDB complex in ATP-bound EQtall conformation (Mutation of E170Q on MlaF) | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | 著者 | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | 登録日 | 2020-07-01 | 公開日 | 2020-09-09 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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7CGE
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![BU of 7cge by Molmil](/molmil-images/mine/7cge) | The overall structure of nucleotide free MlaFEDB complex | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Lipid asymmetry maintenance ABC transporter permease subunit MlaE, Lipid asymmetry maintenance protein MlaB, ... | 著者 | Chi, X.M, Fan, Q.X, Zhang, Y.Y, Liang, K, Zhou, Q, Li, Y.Y. | 登録日 | 2020-07-01 | 公開日 | 2020-09-09 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural mechanism of phospholipids translocation by MlaFEDB complex. Cell Res., 30, 2020
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4O0T
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7V2Y
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![BU of 7v2y by Molmil](/molmil-images/mine/7v2y) | cryo-EM structure of yeast THO complex with Sub2 | 分子名称: | ATP-dependent RNA helicase SUB2, Protein TEX1, THO complex subunit 2, ... | 著者 | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | 登録日 | 2021-08-10 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex. Sci Bull (Beijing), 66, 2021
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4O0Y
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![BU of 4o0y by Molmil](/molmil-images/mine/4o0y) | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | 分子名称: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | 著者 | Rouge, L, Tam, C, Wang, W. | 登録日 | 2013-12-14 | 公開日 | 2014-02-12 | 最終更新日 | 2014-02-26 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
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7V2W
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![BU of 7v2w by Molmil](/molmil-images/mine/7v2w) | protomer structure from the dimer of yeast THO complex | 分子名称: | Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ... | 著者 | Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M. | 登録日 | 2021-08-10 | 公開日 | 2022-07-27 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex. Sci Bull (Beijing), 66, 2021
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6JW4
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![BU of 6jw4 by Molmil](/molmil-images/mine/6jw4) | Degenerate RVD RG forms a distinct loop conformation | 分子名称: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | 著者 | Liu, L, Yi, C. | 登録日 | 2019-04-18 | 公開日 | 2020-04-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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