6WFG
 
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | 分子名称: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | 分子名称: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | 著者 | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | 登録日 | 2020-04-03 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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8VPI
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8VPG
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8VPH
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5DH3
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | 分子名称: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | | 著者 | Kong, L.L, Yun, C.H. | | 登録日 | 2015-08-29 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.468 Å) | | 主引用文献 | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
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6DQB
 | | LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | | 分子名称: | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2018-06-10 | | 公開日 | 2018-11-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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5GOV
 | | Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain | | 分子名称: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | 著者 | Hu, M, Guo, J, Chen, S, Hao, Q. | | 登録日 | 2016-07-29 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal Structure of Escherichia coli originated MCR-1, a phosphoethanolamine transferase for Colistin Resistance.
Sci Rep, 6, 2016
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5BMV
 | | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-Vinblastine COMPLEX | | 分子名称: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Wang, Y, Chen, Q, Zhang, R. | | 登録日 | 2015-05-23 | | 公開日 | 2016-07-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules.
Mol.Pharmacol., 89, 2016
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3W4R
 | | Crystal structure of an insect chitinase from the Asian corn borer, Ostrinia furnacalis | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase | | 著者 | Chen, L, Liu, T, Zhou, Y, Shen, X, Yang, Q. | | 登録日 | 2013-01-10 | | 公開日 | 2014-02-12 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting
Acta Crystallogr.,Sect.D, 70, 2014
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8WWF
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8ZEM
 | | Crystal Structure of NLRP3 NACHT domain in complex with NP3-1 | | 分子名称: | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ... | | 著者 | Shi, C, Liu, Z.M. | | 登録日 | 2024-05-06 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Deep-Learning-Driven Discovery of SN3-1, a Potent NLRP3 Inhibitor with Therapeutic Potential for Inflammatory Diseases.
J.Med.Chem., 2024
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8WWE
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8WWD
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8F8Y
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8F8Z
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4XUK
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7N5U
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21) | | 分子名称: | DNA Strain II, DNA Strand I, ZINC ION, ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2021-06-06 | | 公開日 | 2022-06-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5W
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23) | | 分子名称: | 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2021-06-06 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5V
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20) | | 分子名称: | DNA Strand I, DNA Strand II, ZINC ION, ... | | 著者 | Horton, J.R, Ren, R, Cheng, X. | | 登録日 | 2021-06-06 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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6JN4
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6JN5
 | | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | | 分子名称: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | | 著者 | Li, G.-B, Liu, S. | | 登録日 | 2019-03-13 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
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6JN3
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6JN6
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7V6J
 | | LcCOMT in complex with SAM | | 分子名称: | LcCOMT, S-ADENOSYLMETHIONINE, SODIUM ION | | 著者 | Yu, Y, CHen, Q. | | 登録日 | 2021-08-20 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism.
Int.J.Biol.Macromol., 194, 2022
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