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6TA4
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Human kinesin-5 motor domain in the AMPPNP state bound to microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-10-29
公開日2020-03-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
1O83
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BU of 1o83 by Molmil
Crystal Structure of Bacteriocin AS-48 at pH 7.5, phosphate bound. Crystal form I
分子名称: GLYCEROL, PEPTIDE ANTIBIOTIC AS-48, PHOSPHATE ION
著者Sanchez-Barrena, M.J, Martinez-Ripoll, M, Galvez, A, Valdivia, E, Maqueda, M, Cruz, V, Albert, A.
登録日2002-11-25
公開日2003-11-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure of Bacteriocin as-48: From Soluble State to Membrane Bound State
J.Mol.Biol., 334, 2003
6T7C
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Structure of two copies of human Sox11 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6TG4
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BU of 6tg4 by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1700)
分子名称: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Tankyrase-2, ZINC ION
著者Sowa, S.T, Lehtio, L.
登録日2019-11-15
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
4YJ5
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Crystal structure of PKM2 mutant
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ...
著者Liu, J.-S, Wu, C.-W, Wang, W.-C.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation
Commun Biol, 2, 2019
6T7A
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BU of 6t7a by Molmil
Structure of human Sox11 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T7B
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BU of 6t7b by Molmil
Structure of human Sox2 transcription factor in complex with a nucleosome
分子名称: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ...
著者Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P.
登録日2019-10-21
公開日2020-04-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function.
Nature, 580, 2020
6T9K
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SAGA Core module
分子名称: Protein SPT3, SAGA-associated factor 73, Transcription factor SPT20, ...
著者Wang, H, Cheung, A, Cramer, P.
登録日2019-10-28
公開日2020-01-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the transcription coactivator SAGA.
Nature, 577, 2020
4YUB
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Crystal structure of human Nicotinic Acid Phosphoribosyltransferase
分子名称: Nicotinate phosphoribosyltransferase
著者Garavaglia, S, Rizzi, M, Marletta, A.S.
登録日2015-03-18
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of human nicotinic acid phosphoribosyltransferase.
Febs Open Bio, 5, 2015
6TKQ
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Tankyrase 2 in complex with an inhibitor (OM-2700)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TCA
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BU of 6tca by Molmil
Phosphorylated p38 and MAPKAPK2 complex with inhibitor
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
著者Sok, P, Remenyi, A.
登録日2019-11-05
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
4YPU
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ASH1L SET domain K2264L mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-13
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
7TRB
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BU of 7trb by Molmil
CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE
分子名称: (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator
著者Khan, J.A, Ruzanov, M.
登録日2022-01-28
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7TY3
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BU of 7ty3 by Molmil
Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ...
著者Farrow, N.A.
登録日2022-02-11
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
7TY2
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Crystal Structure of SETD2 Bound to an Indole-based Inhibitor
分子名称: Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ...
著者Farrow, N.A.
登録日2022-02-11
公開日2022-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
6B42
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BU of 6b42 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) 2'-deoxy-AMP complex at 1.13A resolution
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2017-09-25
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
1OW8
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BU of 1ow8 by Molmil
Paxillin LD2 motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase
分子名称: Focal adhesion kinase 1, Paxillin
著者Hoellerer, M.K, Noble, M.E.M, Labesse, G, Werner, J.M, Arold, S.T.
登録日2003-03-28
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular Recognition of Paxillin LD Motifs by the Focal Adhesion Targeting Domain
Structure, 11, 2003
6CBI
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BU of 6cbi by Molmil
PCNA in complex with inhibitor
分子名称: GLY-ARG-LYS-ARG-ARG-GLN-DAB-SER-MET-THR-GLU-PHE-TYR-HIS, Proliferating cell nuclear antigen, SULFATE ION
著者Bruning, J.B, Wegener, K.L.
登録日2018-02-03
公開日2018-07-04
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6CCD
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BU of 6ccd by Molmil
The crystal structure of Mycobacterium tuberculosis Rv1747 FHA-1
分子名称: ABC transporter ATP-binding/permease protein Rv1747, SULFATE ION
著者Gay, L.M, Gee, C.L, Alber, T.
登録日2018-02-06
公開日2018-06-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Characterization of the Tandem FHA Domain Regulatory Module from the Mycobacterium tuberculosis ABC Transporter Rv1747.
Structure, 26, 2018
6CF6
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BU of 6cf6 by Molmil
RNF146 TBM-Tankyrase ARC2-3 complex
分子名称: RNF146, Tankyrase-1
著者Da Rosa, P.A, Xu, W.
登録日2018-02-13
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural basis for tankyrase-RNF146 interaction reveals noncanonical tankyrase-binding motifs.
Protein Sci., 27, 2018
6T9L
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BU of 6t9l by Molmil
SAGA DUB module bound to a ubiqitinated nucleosome
分子名称: Histone H2A, Histone H2B, Histone H2B 1.1, ...
著者Wang, H, Cramer, P.
登録日2019-10-28
公開日2020-01-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of the transcription coactivator SAGA.
Nature, 577, 2020
6TA3
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Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1)
分子名称: 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M.
登録日2019-10-29
公開日2020-04-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy.
Structure, 28, 2020
1MQZ
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BU of 1mqz by Molmil
NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles
分子名称: LANTIBIOTIC MERSACIDIN
著者Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M.
登録日2002-09-17
公開日2003-03-11
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
1MQY
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NMR solution structure of type-B lantibiotics mersacidin in DPC micelles
分子名称: LANTIBIOTIC MERSACIDIN
著者Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M.
登録日2002-09-17
公開日2003-03-11
最終更新日2024-07-10
実験手法SOLUTION NMR
主引用文献NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity
J.Biol.Chem., 278, 2003
6CPI
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BU of 6cpi by Molmil
Solution structure of SH3 domain from Shank1
分子名称: SH3 and multiple ankyrin repeat domains protein 1
著者Ishida, H, Vogel, H.J.
登録日2018-03-13
公開日2018-08-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels.
FEBS Lett., 592, 2018

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