4U54
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4U5U
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4U58
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4U5O
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5TKB
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![BU of 5tkb by Molmil](/molmil-images/mine/5tkb) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND | 分子名称: | ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ... | 著者 | Sack, J.S. | 登録日 | 2016-10-06 | 公開日 | 2016-12-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling. Medchemcomm, 8, 2017
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7AFW
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![BU of 7afw by Molmil](/molmil-images/mine/7afw) | Beta-Catenin in complex with compound 6 | 分子名称: | 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile, Catenin beta-1 | 著者 | Boettcher, J, Kessler, D. | 登録日 | 2020-09-21 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | 主引用文献 | Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Chemmedchem, 16, 2021
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5J2W
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![BU of 5j2w by Molmil](/molmil-images/mine/5j2w) | Intermediate state lying on the pathway of release of Tat from HIV-1 TAR. | 分子名称: | Apical region (29mer) of the HIV-1 TAR RNA element, Cyclic peptide mimetic of HIV-1 Tat | 著者 | Borkar, A.N, Bardaro Jr, M.F, Varani, G, Vendruscolo, M. | 登録日 | 2016-03-30 | 公開日 | 2016-06-08 | 最終更新日 | 2019-10-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of a low-population binding intermediate in protein-RNA recognition. Proc.Natl.Acad.Sci.USA, 113, 2016
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3P8P
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![BU of 3p8p by Molmil](/molmil-images/mine/3p8p) | Crystal Structure of Human Dimethylarginine Dimethylaminohydrolase-1 (DDAH-1) variant C274S bound with N5-(1-iminopentyl)-L-ornithine | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1E)-pentanimidoyl]-L-ornithine | 著者 | Monzingo, A.F, Lluis, M, Wang, Y, Fast, W, Robertus, J.D. | 登録日 | 2010-10-14 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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3P8E
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![BU of 3p8e by Molmil](/molmil-images/mine/3p8e) | Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1S)-1-aminopentyl]-L-ornithine | 著者 | Lluis, M, Wang, Y, Monzingo, A.F, Fast, W, Robertus, J.D. | 登録日 | 2010-10-13 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4946 Å) | 主引用文献 | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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6KGM
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![BU of 6kgm by Molmil](/molmil-images/mine/6kgm) | LSD1-CoREST-S2116 five-membered ring adduct model | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Sato, S, Umehara, T. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGK
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![BU of 6kgk by Molmil](/molmil-images/mine/6kgk) | LSD1-CoREST-S2101 five-membered ring adduct model | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGL
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![BU of 6kgl by Molmil](/molmil-images/mine/6kgl) | LSD1-CoREST-S2101 N5 adduct model | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Sato, S, Sengoku, S, Umehara, T, Yokoyama, S. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGR
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![BU of 6kgr by Molmil](/molmil-images/mine/6kgr) | LSD1-FCPA-MPE N5 adduct model | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Niwa, H, Sato, S, Handa, N, Umehara, T. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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6KGP
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![BU of 6kgp by Molmil](/molmil-images/mine/6kgp) | LSD1-S2157 N5 adduct model | 分子名称: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Niwa, H, Sato, S, Umehara, T. | 登録日 | 2019-07-12 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Development and Structural Evaluation of N-Alkylated trans-2-Phenylcyclopropylamine-Based LSD1 Inhibitors. Chemmedchem, 15, 2020
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5MAE
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![BU of 5mae by Molmil](/molmil-images/mine/5mae) | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | 登録日 | 2016-11-03 | 公開日 | 2017-01-11 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. ChemMedChem, 12, 2017
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7KPX
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![BU of 7kpx by Molmil](/molmil-images/mine/7kpx) | Structure of the yeast CKM | 分子名称: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | 著者 | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | 登録日 | 2020-11-12 | 公開日 | 2021-01-27 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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7KPV
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![BU of 7kpv by Molmil](/molmil-images/mine/7kpv) | Structure of kinase and Central lobes of yeast CKM | 分子名称: | Mediator of RNA polymerase II transcription subunit 12, Mediator of RNA polymerase II transcription subunit 13, Meiotic mRNA stability protein kinase SSN3, ... | 著者 | Li, Y.C, Chao, T.C, Kim, H.J, Cholko, T, Chen, S.F, Nakanishi, K, Chang, C.E, Murakami, K, Garcia, B.A, Boyer, T.G, Tsai, K.L. | 登録日 | 2020-11-12 | 公開日 | 2021-01-27 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure and noncanonical Cdk8 activation mechanism within an Argonaute-containing Mediator kinase module. Sci Adv, 7, 2021
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8FJH
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![BU of 8fjh by Molmil](/molmil-images/mine/8fjh) | Crystal structure of RalA in a covalent complex with SOF-531 | 分子名称: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | 登録日 | 2022-12-19 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
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8FJI
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![BU of 8fji by Molmil](/molmil-images/mine/8fji) | Crystal structure of RalA in a covalent complex with SOF-367 | 分子名称: | 8-[fluoro(dihydroxy)-lambda~4~-sulfanyl]-N-(2-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Landgraf, A.D, Yeh, I.-J, Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S. | 登録日 | 2022-12-19 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. Chemmedchem, 18, 2023
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6V8K
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5MAJ
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![BU of 5maj by Molmil](/molmil-images/mine/5maj) | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | 登録日 | 2016-11-03 | 公開日 | 2017-01-11 | 最終更新日 | 2017-02-22 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. ChemMedChem, 12, 2017
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4R02
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![BU of 4r02 by Molmil](/molmil-images/mine/4r02) | yCP in complex with BSc4999 (alpha-Keto Phenylamide) | 分子名称: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide, Probable proteasome subunit alpha type-7, ... | 著者 | Voss, C, Scholz, C, Knorr, S, Beck, P, Stein, M, Zall, A, Kuckelkorn, U, Kloetzel, P.-M, Groll, M, Hamacher, K, Schmidt, B. | 登録日 | 2014-07-29 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors. Chemmedchem, 9, 2014
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6ETS
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![BU of 6ets by Molmil](/molmil-images/mine/6ets) | Crystal structure of KDM4D with tetrazolhydrazide compound 1 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | 登録日 | 2017-10-27 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.333 Å) | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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2UU8
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![BU of 2uu8 by Molmil](/molmil-images/mine/2uu8) | X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | 分子名称: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | 登録日 | 2007-03-01 | 公開日 | 2007-07-31 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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6ETT
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![BU of 6ett by Molmil](/molmil-images/mine/6ett) | Crystal structure of KDM4D with tetrazole compound 4 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | 著者 | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | 登録日 | 2017-10-27 | 公開日 | 2019-02-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.257 Å) | 主引用文献 | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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