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6JBX
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BU of 6jbx by Molmil
Crystal structure of Streptococcus pneumoniae FabT in complex with DNA
分子名称: DNA (5'-D(*AP*AP*TP*AP*GP*TP*TP*TP*GP*AP*CP*TP*GP*TP*CP*AP*AP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*AP*AP*TP*TP*TP*GP*AP*CP*AP*GP*TP*CP*AP*AP*AP*CP*TP*AP*TP*T)-3'), Fatty acid biosynthesis transcriptional regulator, ...
著者Zuo, G, Chen, Z.P, Li, Q, Zhou, C.Z.
登録日2019-01-27
公開日2019-07-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into repression of the Pneumococcal fatty acid synthesis pathway by repressor FabT and co-repressor acyl-ACP.
Febs Lett., 593, 2019
6PR4
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BU of 6pr4 by Molmil
D262N/S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6P5V
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BU of 6p5v by Molmil
Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme,DCN1-like protein 1 fusion, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
著者Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A.
登録日2019-05-31
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
6P7C
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BU of 6p7c by Molmil
D104A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-06-05
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6P7D
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BU of 6p7d by Molmil
D104N S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-06-05
公開日2020-02-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PQ1
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BU of 6pq1 by Molmil
Structure of the Fremyella diplosiphon OCP1
分子名称: Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione
著者Sutter, M, Dominguez-Martin, M.A, Bao, H, Kerfeld, C.A.
登録日2019-07-08
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Comparative ultrafast spectroscopy and structural analysis of OCP1 and OCP2 from Tolypothrix.
Biochim Biophys Acta Bioenerg, 1861, 2020
6PR2
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BU of 6pr2 by Molmil
R261A/S128A S. typhimurium siroheme synthase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
8WIU
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BU of 8wiu by Molmil
Bromodomain and Extra-terminal Domain (BET) BRD4
分子名称: 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Zhiyan, D, Xiong, B.
登録日2023-09-25
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis.
Eur.J.Med.Chem., 265, 2023
6P5X
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BU of 6p5x by Molmil
Sirohydrochlorin-bound S. typhimurium siroheme synthase
分子名称: 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-05-31
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
5YOV
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BU of 5yov by Molmil
Crystal structure of BRD4-BD1 bound with hjp126
分子名称: (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
著者Xiong, B, Hu, J, Li, Y, Cao, D.
登録日2017-10-31
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.
Eur.J.Med.Chem., 150, 2018
3RX4
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BU of 3rx4 by Molmil
Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Chen, J, Luo, H, Hu, X.
登録日2011-05-10
公開日2011-11-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3RX2
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BU of 3rx2 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone
分子名称: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zheng, X, Chen, J, Luo, H, Hu, X.
登録日2011-05-10
公開日2011-11-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
2OBT
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BU of 2obt by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type B
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
6PR0
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BU of 6pr0 by Molmil
P133H-S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
3S3G
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BU of 3s3g by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
著者Zheng, X, Chen, J, Luo, H, Hu, X.
登録日2011-05-18
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
6PR1
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BU of 6pr1 by Molmil
R260A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PR3
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BU of 6pr3 by Molmil
D262A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6PQZ
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BU of 6pqz by Molmil
P133G/S128A S. typhimurium siroheme synthase
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-07-10
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
6P5Z
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BU of 6p5z by Molmil
Cobalt-sirohydrochlorin-bound S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase, ...
著者Pennington, J.M, Stroupe, M.E.
登録日2019-05-31
公開日2021-06-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
2OBS
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BU of 2obs by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type A
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-gulopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
2OBR
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BU of 2obr by Molmil
Crystal Structures of P Domain of Norovirus VA387
分子名称: Capsid protein
著者Cao, S, Lou, Z, Jiang, X, Zhang, X.C, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the recognition of blood group trisaccharides by norovirus.
J.Virol., 81, 2007
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
5ZFZ
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BU of 5zfz by Molmil
Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant
分子名称: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4
著者Li, Y.Y, Wu, B.X, Gan, J.H.
登録日2018-03-07
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
分子名称: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Liu, Q, Xu, Y.
登録日2017-06-15
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018

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