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2M0Y
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BU of 2m0y by Molmil
Solution structure of the SH3 domain of DOCK180
分子名称: Dedicator of cytokinesis protein 1
著者Liu, X, Wen, W.
登録日2012-11-08
公開日2012-12-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the SH3 domain of DOCK180.
Proteins, 81, 2013
6ITJ
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BU of 6itj by Molmil
Crystal structure of FGFR1 kinase domain in complex with compound 3
分子名称: 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1
著者Xu, Y, Liu, Q.
登録日2018-11-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-12-15
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
分子名称: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8SQG
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OXA-48 bound to inhibitor CDD-2801
分子名称: (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
著者Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T.
登録日2023-05-04
公開日2024-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024
8U10
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BU of 8u10 by Molmil
In situ cryo-EM structure of bacteriophage P22 gp1:gp4:gp5:gp10:gp9 N-term complex in conformation 1 at 3.2A resolution
分子名称: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
著者Iglesias, S, Feng-Hou, C, Cingolani, G.
登録日2023-08-30
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8U11
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In situ cryo-EM structure of bacteriophage P22 gp1:gp5:gp4: gp10: gp9 N-term complex in conformation 2 at 3.1A resolution
分子名称: Major capsid protein, Packaged DNA stabilization protein gp10, Peptidoglycan hydrolase gp4, ...
著者Iglesias, S, Feng-Hou, C, Cingolani, G.
登録日2023-08-30
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8TVR
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In situ cryo-EM structure of bacteriophage P22 tail hub protein: tailspike protein complex at 2.8A resolution
分子名称: Packaged DNA stabilization protein gp10, Tail spike protein
著者Iglesias, S, Cingolani, G, Feng-Hou, C.
登録日2023-08-18
公開日2023-11-29
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8U1O
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BU of 8u1o by Molmil
In situ cryo-EM structure of bacteriophage P22 tailspike protein complex at 3.4A resolution
分子名称: Tail spike protein
著者Iglesias, S.M, Feng-Hou, C, Cingolani, G.
登録日2023-09-01
公開日2023-11-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8TVU
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BU of 8tvu by Molmil
In situ cryo-EM structure of bacteriophage P22 portal protein: head-to-tail protein complex at 3.0A resolution
分子名称: Peptidoglycan hydrolase gp4, Portal protein
著者Iglesias, S.M, Cingolani, G, Feng-Hou, C.
登録日2023-08-18
公開日2023-11-29
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular Architecture of Salmonella Typhimurium Virus P22 Genome Ejection Machinery.
J.Mol.Biol., 435, 2023
8K8J
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BU of 8k8j by Molmil
Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y.
登録日2023-07-30
公開日2024-02-14
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
6K7S
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BU of 6k7s by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
8PON
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BU of 8pon by Molmil
TEAD2 in complex with an inhibitor
分子名称: 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8POM
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BU of 8pom by Molmil
TEAD2 in complex with an inhibitor
分子名称: 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8POJ
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BU of 8poj by Molmil
TEAD2 in complex with an inhibitor
分子名称: 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Guichou, J.F.
登録日2023-07-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
6K7Q
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BU of 6k7q by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: SULFATE ION, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6IUP
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BU of 6iup by Molmil
Crystal structure of FGFR4 kinase domain in complex with compound 5
分子名称: DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6K7R
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BU of 6k7r by Molmil
Crystal structure of thymidylate synthase from shrimp
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
著者Ma, Q, Zang, K, Liu, C.
登録日2019-06-08
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed.
J Oceanol Limnol, 38, 2020
6IUO
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BU of 6iuo by Molmil
Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor
分子名称: Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
著者Xu, Y, Liu, Q.
登録日2018-11-29
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design.
J.Med.Chem., 62, 2019
6KP6
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BU of 6kp6 by Molmil
The structural study of mutation induced inactivation of Human muscarinic receptor M4
分子名称: Muscarinic acetylcholine receptor M4,GlgA glycogen synthase,Muscarinic acetylcholine receptor M4
著者Wang, J.J, Wu, M, Wu, L.J, Liu, Z.J, Hua, T.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structural study of mutation-induced inactivation of human muscarinic receptor M4
Iucrj, 7, 2020
6L0X
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BU of 6l0x by Molmil
The First Tudor Domain of PHF20L1
分子名称: CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1
著者Lv, M.Q, Gao, J.
登録日2019-09-27
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
5E8R
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BU of 5e8r by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
分子名称: CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ...
著者DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2015-10-14
公開日2015-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases.
Acs Chem.Biol., 11, 2016
3PHD
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BU of 3phd by Molmil
Crystal structure of human HDAC6 in complex with ubiquitin
分子名称: Histone deacetylase 6, Polyubiquitin, ZINC ION
著者Dong, A, Qui, W, Ravichandran, M, Schuetz, A, Loppnau, P, Li, F, Mackenzie, F, Kozieradzki, I, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2010-11-03
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Protein Aggregates Are Recruited to Aggresome by Histone Deacetylase 6 via Unanchored Ubiquitin C Termini.
J.Biol.Chem., 287, 2012
5EQ0
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BU of 5eq0 by Molmil
Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 8, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-12
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
5EPK
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BU of 5epk by Molmil
Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866
分子名称: Chromobox protein homolog 2, UNKNOWN ATOM OR ION, unc3866
著者Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-11-11
公開日2015-12-23
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016

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