4LVF
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![BU of 4lvf by Molmil](/molmil-images/mine/4lvf) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6J2C
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![BU of 6j2c by Molmil](/molmil-images/mine/6j2c) | Yeast proteasome in translocation competent state (C3-a) | 分子名称: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | 著者 | Cong, Y. | 登録日 | 2019-01-01 | 公開日 | 2019-03-13 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | Structural Snapshots of 26S Proteasome Reveal Tetraubiquitin-Induced Conformations. Mol. Cell, 73, 2019
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4MHL
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![BU of 4mhl by Molmil](/molmil-images/mine/4mhl) | The crystal structure of human interleukin-11 | 分子名称: | FORMAMIDE, Interleukin-11, SULFATE ION | 著者 | Griffin, M.D.W. | 登録日 | 2013-08-29 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | The structure of human interleukin-11 reveals receptor-binding site features and structural differences from interleukin-6. Acta Crystallogr.,Sect.D, 70, 2014
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4LVA
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![BU of 4lva by Molmil](/molmil-images/mine/4lva) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | 登録日 | 2013-07-26 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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6J2X
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![BU of 6j2x by Molmil](/molmil-images/mine/6j2x) | Yeast proteasome in resting state (C1-a) | 分子名称: | 26S PROTEASE REGULATORY SUBUNIT 4 HOMOLOG, 26S PROTEASOME REGULATORY SUBUNIT RPN5, 26S proteasome complex subunit SEM1, ... | 著者 | Cong, Y. | 登録日 | 2019-01-03 | 公開日 | 2019-03-13 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural Snapshots of 26S Proteasome Reveal Tetraubiquitin-Induced Conformations. Mol. Cell, 73, 2019
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7EQ7
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![BU of 7eq7 by Molmil](/molmil-images/mine/7eq7) | |
1AUC
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![BU of 1auc by Molmil](/molmil-images/mine/1auc) | HUMAN THIOREDOXIN (OXIDIZED WITH DIAMIDE) | 分子名称: | THIOREDOXIN | 著者 | Anderson, J.F, Sanders, D.A.R, Gasdaska, J, Weichsel, A, Powis, G, Montfort, W.R. | 登録日 | 1997-08-22 | 公開日 | 1998-02-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant. Biochemistry, 36, 1997
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6GZH
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![BU of 6gzh by Molmil](/molmil-images/mine/6gzh) | Crystal Structure of Human CDK9/cyclinT1 with A86 | 分子名称: | Cyclin-T1, Cyclin-dependent kinase 9, GLYCEROL, ... | 著者 | Ben-neriah, Y, Venkatachalam, A, Minzel, W, Fink, A, Snir-Alkalay, I, Vacca, J. | 登録日 | 2018-07-04 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | Small Molecules Co-targeting CKI alpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models. Cell, 175, 2018
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7OTV
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![BU of 7otv by Molmil](/molmil-images/mine/7otv) | DNA-PKcs in complex with wortmannin | 分子名称: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | 登録日 | 2021-06-10 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTW
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![BU of 7otw by Molmil](/molmil-images/mine/7otw) | DNA-PKcs in complex with AZD7648 | 分子名称: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | 登録日 | 2021-06-10 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTM
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![BU of 7otm by Molmil](/molmil-images/mine/7otm) | Cryo-EM structure of DNA-PKcs in complex with NU7441 | 分子名称: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | 登録日 | 2021-06-10 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTY
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![BU of 7oty by Molmil](/molmil-images/mine/7oty) | DNA-PKcs in complex with M3814 | 分子名称: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | 登録日 | 2021-06-10 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTP
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![BU of 7otp by Molmil](/molmil-images/mine/7otp) | DNA-PKcs in complex with ATPgammaS-Mg | 分子名称: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | 登録日 | 2021-06-10 | 公開日 | 2022-01-12 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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1A3S
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![BU of 1a3s by Molmil](/molmil-images/mine/1a3s) | HUMAN UBC9 | 分子名称: | UBC9 | 著者 | Naismith, J.H, Giraud, M. | 登録日 | 1998-01-23 | 公開日 | 1998-05-27 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of ubiquitin-conjugating enzyme 9 displays significant differences with other ubiquitin-conjugating enzymes which may reflect its specificity for sumo rather than ubiquitin. Acta Crystallogr.,Sect.D, 54, 1998
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5L3D
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![BU of 5l3d by Molmil](/molmil-images/mine/5l3d) | Human LSD1/CoREST: LSD1 Y761H mutation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | 著者 | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | 登録日 | 2016-04-06 | 公開日 | 2016-05-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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5L3B
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![BU of 5l3b by Molmil](/molmil-images/mine/5l3b) | Human LSD1/CoREST: LSD1 D556G mutation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | 著者 | Pilotto, S, Speranzini, V, Marabelli, C. | 登録日 | 2016-04-06 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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7UX2
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![BU of 7ux2 by Molmil](/molmil-images/mine/7ux2) | |
5L3C
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![BU of 5l3c by Molmil](/molmil-images/mine/5l3c) | Human LSD1/CoREST: LSD1 E379K mutation | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1 | 著者 | Pilotto, S, Speranzini, V, Marabelli, C, Mattevi, A. | 登録日 | 2016-04-06 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | LSD1/KDM1A mutations associated to a newly described form of intellectual disability impair demethylase activity and binding to transcription factors. Hum.Mol.Genet., 25, 2016
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6O9O
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![BU of 6o9o by Molmil](/molmil-images/mine/6o9o) | |
1AIU
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![BU of 1aiu by Molmil](/molmil-images/mine/1aiu) | HUMAN THIOREDOXIN (D60N MUTANT, REDUCED FORM) | 分子名称: | THIOREDOXIN | 著者 | Andersen, J.F, Gasdaska, J.R, Sanders, D.A.R, Weichsel, A, Powis, G, Montfort, W.R. | 登録日 | 1997-04-25 | 公開日 | 1997-07-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Human thioredoxin homodimers: regulation by pH, role of aspartate 60, and crystal structure of the aspartate 60 --> asparagine mutant. Biochemistry, 36, 1997
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3DS6
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![BU of 3ds6 by Molmil](/molmil-images/mine/3ds6) | P38 complex with a phthalazine inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | 著者 | Herberich, B, Syed, R, Li, V, Grosfeld, D. | 登録日 | 2008-07-11 | 公開日 | 2008-10-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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5LHI
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![BU of 5lhi by Molmil](/molmil-images/mine/5lhi) | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-12 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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8R5H
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![BU of 8r5h by Molmil](/molmil-images/mine/8r5h) | Ubiquitin ligation to neosubstrate by a cullin-RING E3 ligase & Cdc34: NEDD8-CUL2-RBX1-ELOB/C-VHL-MZ1 with trapped UBE2R2~donor UB-BRD4 BD2 | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 5-azanylpentan-2-one, Bromodomain-containing protein 4, ... | 著者 | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | 登録日 | 2023-11-16 | 公開日 | 2024-02-21 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.44 Å) | 主引用文献 | Cullin-RING ligases employ geometrically optimized catalytic partners for substrate targeting. Mol.Cell, 84, 2024
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5LHG
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![BU of 5lhg by Molmil](/molmil-images/mine/5lhg) | Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-11 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.34 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LHH
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![BU of 5lhh by Molmil](/molmil-images/mine/5lhh) | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | 分子名称: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Cecatiello, V, Pasqualato, S. | 登録日 | 2016-07-11 | 公開日 | 2017-02-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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