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6LG7
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BU of 6lg7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-2030
分子名称: 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
4HRG
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BU of 4hrg by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with AHNAK1 Peptide
分子名称: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.0001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
6SH7
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BU of 6sh7 by Molmil
Crystal structure of the human DEAH-helicase DHX15 in complex with the NKRF G-patch
分子名称: NF-kappa-B-repressing factor, Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX15
著者Jonas, S, Studer, M.K, Ivanovic, L.
登録日2019-08-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis for DEAH-helicase activation by G-patch proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LG6
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BU of 6lg6 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1021
分子名称: Bromodomain-containing protein 4, N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
著者Xu, H, Zuo, Y.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
7QQL
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BU of 7qql by Molmil
The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1
分子名称: CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
6LH4
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BU of 6lh4 by Molmil
Crystal structural of MacroD1-ADPr complex
分子名称: ADP-ribose glycohydrolase MACROD1, [(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Yang, X, Ma, Y, Li, Y.
登録日2019-12-06
公開日2020-12-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Molecular basis for the MacroD1-mediated hydrolysis of ADP-ribosylation.
DNA Repair (Amst), 94, 2020
7QQN
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BU of 7qqn by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QQM
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BU of 7qqm by Molmil
The PDZ domain of LRRC7 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXP
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BU of 4hxp by Molmil
Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor
分子名称: 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
6LG5
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BU of 6lg5 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038
分子名称: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4
著者Xu, H, Zuo, Y, Zhang, H.
登録日2019-12-04
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Lead-Opt: An efficient tool for structural optimization of lead compounds
To Be Published
6SB8
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BU of 6sb8 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-19
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
6SC2
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BU of 6sc2 by Molmil
Structure of the dynein-2 complex; IFT-train bound model
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 2 light intermediate chain 1, ...
著者Toropova, K, Zalyte, R, Mukhopadhyay, A.G, Mladenov, M, Carter, A.P, Roberts, A.J.
登録日2019-07-23
公開日2019-09-04
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the dynein-2 complex and its assembly with intraflagellar transport trains.
Nat.Struct.Mol.Biol., 26, 2019
7QP6
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BU of 7qp6 by Molmil
Structure of the human 48S initiation complex in open state (h48S AUG open)
分子名称: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Yi, S.-H, Petrychenko, V, Schliep, J.E, Goyal, A, Linden, A, Chari, A, Urlaub, H, Stark, H, Rodnina, M.V, Adio, S, Fischer, N.
登録日2022-01-03
公開日2022-05-11
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Conformational rearrangements upon start codon recognition in human 48S translation initiation complex.
Nucleic Acids Res., 50, 2022
6SH6
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BU of 6sh6 by Molmil
Crystal structure of the human DEAH-helicase DHX15 in complex with the NKRF G-patch bound to ADP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Jonas, S, Studer, M.K, Ivanovic, L.
登録日2019-08-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for DEAH-helicase activation by G-patch proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
7QI1
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BU of 7qi1 by Molmil
Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424
分子名称: 14-3-3 protein theta, ARGININE, Cystic fibrosis transmembrane conductance regulator, ...
著者Stevers, L.M, Ottmann, C.
登録日2021-12-14
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Macrocycle-stabilization of its interaction with 14-3-3 increases plasma membrane localization and activity of CFTR.
Nat Commun, 13, 2022
6KVG
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BU of 6kvg by Molmil
The solution structure of human Orc6
分子名称: Origin recognition complex subunit 6
著者Liu, C, Xu, N, You, Y, Zhu, G.
登録日2019-09-04
公開日2020-09-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of DNA replication origin recognition by human Orc6 protein binding with DNA.
Nucleic Acids Res., 48, 2020
4GP3
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BU of 4gp3 by Molmil
The crystal structure of human fascin 1 K358A mutant
分子名称: BROMIDE ION, CHLORIDE ION, Fascin, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
6S8V
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BU of 6s8v by Molmil
Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-07-10
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Theranostics, 10, 2020
4HAZ
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BU of 4haz by Molmil
Crystal structure of CRM1 inhibitor Leptomycin B in complex with CRM1(R543S,K548E,K579Q)-Ran-RanBP1
分子名称: CHLORIDE ION, Exportin-1, GTP-binding nuclear protein Ran, ...
著者Sun, Q, Chook, Y.M.
登録日2012-09-27
公開日2013-01-09
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HBV
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BU of 4hbv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
分子名称: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
6SAJ
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BU of 6saj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-16
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
6SE4
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BU of 6se4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
分子名称: (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC)
登録日2019-07-29
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
To Be Published
4GP0
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BU of 4gp0 by Molmil
The crystal structure of human fascin 1 R149A K150A R151A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GYH
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BU of 4gyh by Molmil
Structure of human thymidylate synthase at high salt conditions
分子名称: SULFATE ION, Thymidylate synthase
著者Brunn, N, Dibrov, S, Hermann, T.
登録日2012-09-05
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Analysis of mRNA recognition by human thymidylate synthase.
Biosci.Rep., 34, 2014

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件を2024-08-14に公開中

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