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PDB: 199 件
6N85
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BU of 6n85 by Molmil
Resistance to inhibitors of cholinesterase 8A (Ric8A) protein in complex with MBP-tagged transducin-alpha residues 327-350
分子名称: Maltose/maltodextrin-binding periplasmic protein,Guanine nucleotide-binding protein G(t) subunit alpha-2, Synembryn-A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Srivastava, D, Gakhar, L, Artemyev, N.O.
登録日2018-11-28
公開日2019-07-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural underpinnings of Ric8A function as a G-protein alpha-subunit chaperone and guanine-nucleotide exchange factor.
Nat Commun, 10, 2019
6U64
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Mcl-1 bound to compound 17
分子名称: 5-[(2-phenylethyl)sulfanyl]-2-{[(4-phenylpiperazin-1-yl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6FS2
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BU of 6fs2 by Molmil
MCL1 in complex with indole acid ligand
分子名称: 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Hargreaves, D.
登録日2018-02-18
公開日2018-12-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.
Nat Commun, 9, 2018
4XAI
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BU of 4xai by Molmil
Crystal Structure of red flour beetle NR2E1/TLX
分子名称: Grunge, isoform J, Maltose-binding periplasmic protein,Tailless ortholog, ...
著者Zhi, X, Zhou, E, Xu, E.
登録日2014-12-14
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
5IEZ
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BU of 5iez by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) inhibitors using Structure-Based Design
分子名称: 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5FDR
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BU of 5fdr by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 5-[[6-chloranyl-3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-1~{H}-indol-2-yl]carbonylsulfamoyl]furan-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5JSB
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BU of 5jsb by Molmil
Crystal structure of Mcl1-inhibitor complex
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor
著者Shen, B.W, Stoddard, B.L.
登録日2016-05-07
公開日2016-11-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
分子名称: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Stuckey, J.A.
登録日2019-08-29
公開日2020-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
6BW2
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BU of 6bw2 by Molmil
Mcl-1 complexed with small molecules
分子名称: 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018
6DKS
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BU of 6dks by Molmil
Structure of the Rbpj-SHARP-DNA Repressor Complex
分子名称: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Maltose/maltodextrin-binding periplasmic protein, ...
著者Kovall, R.A, VanderWielen, B.D, Yuan, Z.
登録日2018-05-30
公開日2019-01-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural and Functional Studies of the RBPJ-SHARP Complex Reveal a Conserved Corepressor Binding Site.
Cell Rep, 26, 2019
5EDU
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BU of 5edu by Molmil
Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A
分子名称: Maltose-binding periplasmic protein, Histone deacetylase 6 chimera, POTASSIUM ION, ...
著者Hai, Y, Christianson, D.W.
登録日2015-10-22
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
4FEB
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BU of 4feb by Molmil
Crystal Structure of Htt36Q3H-EX1-X1-C2(Beta)
分子名称: Maltose-binding periplasmic protein,Huntingtin, SODIUM ION, ZINC ION
著者Kim, M.
登録日2012-05-29
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Beta conformation of polyglutamine track revealed by a crystal structure of Huntingtin N-terminal region with insertion of three histidine residues.
Prion, 7, 2013
4HW2
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BU of 4hw2 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
分子名称: 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
5FDO
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BU of 5fdo by Molmil
Mcl-1 complexed with small molecule inhibitor
分子名称: 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2015-12-16
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
5E7U
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BU of 5e7u by Molmil
MBP-MamC loop structure, a magnetite biomineralizing protein from Magnetospirillium magneticum AMB-1
分子名称: Maltose-binding periplasmic protein,Tightly bound bacterial magnetic particle protein,Maltose-binding periplasmic protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Nudelman, H, Zarivach, R.
登録日2015-10-13
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献MBP-MamC loop structure, a magnetite biomineralizing protein from Magnetospirillium magneticum AMB-1
To Be Published
5V6Y
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BU of 5v6y by Molmil
Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer with bound high-affinity and altered selectivity adrenomedullin variant
分子名称: ADM, Maltose-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Pioszak, A, Booe, J.
登録日2017-03-17
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Probing the Mechanism of Receptor Activity-Modifying Protein Modulation of GPCR Ligand Selectivity through Rational Design of Potent Adrenomedullin and Calcitonin Gene-Related Peptide Antagonists.
Mol. Pharmacol., 93, 2018
2NLA
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BU of 2nla by Molmil
Crystal structure of the Mcl-1:mNoxaB BH3 complex
分子名称: FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Phorbol-12-myristate-13-acetate-induced protein 1
著者Czabotar, P.E, Colman, P.M.
登録日2006-10-19
公開日2007-03-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the degradation of Mcl-1 induced by BH3 domains.
Proc.Natl.Acad.Sci.USA, 104, 2007
5JJ4
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BU of 5jj4 by Molmil
Crystal Structure of a Variant Human Activation-induced Deoxycytidine Deaminase as an MBP fusion protein
分子名称: CALCIUM ION, Maltose-binding periplasmic protein,Single-stranded DNA cytosine deaminase, ZINC ION, ...
著者Pedersen, L.C, Goodman, M.F, Pham, P, Afif, S.A.
登録日2016-04-22
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Structural analysis of the activation-induced deoxycytidine deaminase required in immunoglobulin diversification.
DNA Repair (Amst.), 43, 2016
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
分子名称: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
6EG3
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BU of 6eg3 by Molmil
Crystal structure of human BRM in complex with compound 15
分子名称: 3-[(4-{[(2-chloropyridin-4-yl)carbamoyl]amino}pyridin-2-yl)ethynyl]benzoic acid, ETHANOL, Maltose/maltodextrin-binding periplasmic protein,Probable global transcription activator SNF2L2
著者Zhu, X, Kulathila, R, Hu, T, Xie, X.
登録日2018-08-17
公開日2018-10-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of Orally Active Inhibitors of Brahma Homolog (BRM)/SMARCA2 ATPase Activity for the Treatment of Brahma Related Gene 1 (BRG1)/SMARCA4-Mutant Cancers.
J. Med. Chem., 61, 2018
6DD5
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BU of 6dd5 by Molmil
Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein
分子名称: GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ...
著者Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M.
登録日2018-05-09
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition.
Mol. Cell, 72, 2018
4OQ5
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BU of 4oq5 by Molmil
Crystal Structure of Human MCL-1 Bound to Inhibitor 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid
分子名称: 4-(4-methylnaphthalen-1-yl)-2-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C.
登録日2014-02-07
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.
Bioorg.Med.Chem.Lett., 24, 2014
6U6F
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The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
分子名称: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
登録日2019-08-29
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
5W0U
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BU of 5w0u by Molmil
Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*CP*CP*TP*TP*GP*AP*AP*C)-3'), ...
著者Qiao, Q, Wang, L, Wu, H.
登録日2017-05-31
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献AID Recognizes Structured DNA for Class Switch Recombination.
Mol. Cell, 67, 2017
6BW8
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Mcl-1 complexed with small molecules
分子名称: 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2017-12-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design.
J. Med. Chem., 61, 2018

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