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6AZW
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IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3WRO
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BU of 3wro by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
分子名称: MANGANESE (II) ION, Non-capsid protein NS-1
著者Tewary, S.K, Zhao, H, Tang, L.
登録日2014-02-27
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
3WRN
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BU of 3wrn by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
分子名称: Non-capsid protein NS-1, SODIUM ION, ZINC ION
著者Tewary, S.K, Zhao, H, Tang, L.
登録日2014-02-27
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
7Y8Y
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BU of 7y8y by Molmil
Structure of Cas7-11-crRNA-tgRNA in complex with TPR-CHAT
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (37-MER), ...
著者Wang, S, Guo, M, Zhu, Y, Huang, Z.
登録日2022-06-24
公開日2023-06-28
最終更新日2024-01-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM structure of the type III-E CRISPR-Cas effector gRAMP in complex with TPR-CHAT.
Cell Res., 32, 2022
4RE1
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BU of 4re1 by Molmil
Crystal structure of human TEAD1 and disulfide-engineered YAP
分子名称: CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog
著者Xu, Z, Zhou, Z.
登録日2014-09-21
公開日2014-11-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
1DSS
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BU of 1dss by Molmil
STRUCTURE OF ACTIVE-SITE CARBOXYMETHYLATED D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM PALINURUS VERSICOLOR
分子名称: D-GLYCERALDEHYDE-3-PHOSPHATE-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Song, S, Lin, Z.
登録日1997-06-04
公開日1998-12-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of active site carboxymethylated D-glyceraldehyde-3-phosphate dehydrogenase from Palinurus versicolor.
J.Mol.Biol., 287, 1999
8T51
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BU of 8t51 by Molmil
Crystal structure of Fab 3.10C2 bound to TREM2
分子名称: 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ...
著者Hsu, P.L, Wallweber, H.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
8T59
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Crystal structure of Para.09 bound to TREM2
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Para.09 heavy chain, ...
著者Wallweber, H, Hsu, P.L.
登録日2023-06-12
公開日2024-07-31
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining.
Nat Commun, 15, 2024
8TLR
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Crystal Structure of human HRAS G12C covalently bound to AMG 510
分子名称: AMG 510 (bound form), GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Morstein, J, Guiley, K.Z, Shokat, K.M.
登録日2023-07-27
公開日2024-07-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.70003951 Å)
主引用文献Targeting Ras-, Rho-, and Rab-family GTPases via a conserved cryptic pocket.
Cell, 187, 2024
4RFM
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BU of 4rfm by Molmil
ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide
分子名称: (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者McEwan, P.A, Barker, J.J, Eigenbrot, C.
登録日2014-09-26
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.
J.Med.Chem., 58, 2015
4EI4
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BU of 4ei4 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 20
分子名称: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4F08
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BU of 4f08 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F09
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
2PKG
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BU of 2pkg by Molmil
Structure of a complex between the A subunit of protein phosphatase 2A and the small t antigen of SV40
分子名称: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, Small T antigen, ZINC ION
著者Jeffrey, P.D, Shi, Y.
登録日2007-04-17
公開日2007-05-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and biochemical insights into the regulation of protein phosphatase 2A by small t antigen of SV40.
Nat.Struct.Mol.Biol., 14, 2007
2M5E
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BU of 2m5e by Molmil
Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2
分子名称: CALCIUM ION, Calmodulin, Sodium channel protein type 2 subunit alpha
著者Fowler, C.A, Feldkamp, M.D, Yu, L, Shea, M.A.
登録日2013-02-21
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Calcium triggers reversal of calmodulin on nested anti-parallel sites in the IQ motif of the neuronal voltage-dependent sodium channel NaV1.2.
Biophys. Chem., 224, 2017
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
分子名称: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
著者Sack, J.S, Critton, D.A.
登録日2021-11-11
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
7WN7
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BU of 7wn7 by Molmil
Crystal structure of HearNPV P26
分子名称: CHLORIDE ION, SULFATE ION, p26
著者Kuang, W, Hu, Z, Gong, P.
登録日2022-01-17
公開日2022-11-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dual roles and evolutionary implications of P26/poxin in antagonizing intracellular cGAS-STING and extracellular melanization immunity.
Nat Commun, 13, 2022
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
3RT0
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BU of 3rt0 by Molmil
Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA)
分子名称: Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16
著者Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
登録日2011-05-02
公開日2011-06-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3RT2
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BU of 3rt2 by Molmil
Crystal structure of apo-PYL10
分子名称: Abscisic acid receptor PYL10
著者Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
登録日2011-05-02
公開日2011-06-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
2HV6
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BU of 2hv6 by Molmil
Crystal structure of the phosphotyrosyl phosphatase activator
分子名称: MAGNESIUM ION, Protein phosphatase 2A, regulatory subunit B
著者Chao, Y, Jeffrey, P.D, Shi, Y.
登録日2006-07-27
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and mechanism of the phosphotyrosyl phosphatase activator.
Mol.Cell, 23, 2006
2HV7
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BU of 2hv7 by Molmil
Crystal structure of phosphotyrosyl phosphatase activator bound to ATPgammaS
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein phosphatase 2A, regulatory subunit B
著者Chao, Y, Jeffrey, J.D, Shi, Y.
登録日2006-07-27
公開日2006-08-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of the phosphotyrosyl phosphatase activator.
Mol.Cell, 23, 2006
7XSC
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BU of 7xsc by Molmil
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
分子名称: P5S-2B10 Heavy chain, P5S-2B10 Light chain, Spike protein S1
著者Wang, X, Wang, Z, Lin, Z.
登録日2022-05-13
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Infection with wild-type SARS-CoV-2 elicits broadly neutralizing and protective antibodies against omicron subvariants.
Nat.Immunol., 24, 2023
7CGS
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BU of 7cgs by Molmil
Crystal endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L343F from Prunus communis
分子名称: (R)-mandelonitrile lyase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zheng, Y.C, Li, F.L.
登録日2020-07-02
公開日2021-04-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A High-Throughput Screening Method for the Directed Evolution of Hydroxynitrile Lyase towards Cyanohydrin Synthesis.
Chembiochem, 22, 2021
8YXT
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Crystal structure of PtmB
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PtmB
著者Zhang, Z.Y, Qu, X.D, Duan, B.R, Wei, G.Z.
登録日2024-04-02
公開日2024-11-20
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A nucleobase-driven P450 peroxidase system enables regio- and stereo-specific formation of C─C and C─N bonds.
Proc.Natl.Acad.Sci.USA, 121, 2024

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