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6KIK
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BU of 6kik by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor tolrestat
分子名称: Oxidoreductase, aldo/keto reductase family, TOLRESTAT
著者Zhang, C.Y, Liu, X.M, Wang, C, Tang, W.R.
登録日2019-07-18
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6KIY
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BU of 6kiy by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complex with inhibitor Epalrestat
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, aldo/keto reductase family, ...
著者Zhang, C.Y, Liu, X.M, Wang, C, Min, Z.Z, Xu, X.L.
登録日2019-07-20
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
5OLP
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BU of 5olp by Molmil
Galacturonidase
分子名称: CALCIUM ION, Pectate lyase
著者Basle, A, Luis, A.S, Gilbert, H.J.
登録日2017-07-28
公開日2017-11-29
最終更新日2018-12-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5ZE0
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BU of 5ze0 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
分子名称: 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
著者Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
登録日2018-02-25
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
6KI1
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BU of 6ki1 by Molmil
The transmembrane domain of a cyanobacterium bicarbonate transporter BicA
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BICARBONATE ION, Low affinity sulfate transporter, ...
著者Zhang, P, Wang, C.C.
登録日2019-07-17
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
5OPJ
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BU of 5opj by Molmil
Beta-L-arabinofuranosidase
分子名称: Rhamnogalacturonan lyase, ZINC ION, alpha-L-arabinofuranose
著者Basle, A, Luis, A.S, Gilbert, H.J.
登録日2017-08-10
公開日2018-02-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5ZZ8
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BU of 5zz8 by Molmil
Structure of the Herpes simplex virus type 2 C-capsid with capsid-vertex-specific component
分子名称: Major capsid protein, UL17, UL25, ...
著者Wang, J.L, Yuan, S, Zhu, D.J, Tang, H, Wang, N, Chen, W.Y, Gao, Q, Li, Y.H, Wang, J.Z, Liu, H.R, Zhang, X.Z, Rao, Z.H, Wang, X.X.
登録日2018-05-31
公開日2018-10-10
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structure of the herpes simplex virus type 2 C-capsid with capsid-vertex-specific component.
Nat Commun, 9, 2018
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
6KY6
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BU of 6ky6 by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
分子名称: 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R.
登録日2019-09-16
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
6A73
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BU of 6a73 by Molmil
Complex structure of CSN2 with IP6
分子名称: COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION
著者Liu, L, Li, D, Rao, F, Wang, T.
登録日2018-07-02
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
7DW9
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BU of 7dw9 by Molmil
Cryo-EM structure of human V2 vasopressin receptor in complex with an Gs protein
分子名称: CHOLESTEROL, CYS-TYR-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhou, F, Jiang, Y.
登録日2021-01-15
公開日2021-07-21
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of ligand recognition and activation of human V2 vasopressin receptor.
Cell Res., 31, 2021
2MHM
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BU of 2mhm by Molmil
Solution structure of cytochrome c Y67H
分子名称: Cytochrome c iso-1, HEME C
著者Lan, W.X, Wang, Z.H, Yang, Z.Z, Ying, T.L, Wu, H.M, Tan, X.S, Cao, C.Y, Huang, Z.X.
登録日2013-11-26
公開日2014-10-29
実験手法SOLUTION NMR
主引用文献Structural Basis for Cytochrome c Y67H Mutant to Function as a Peroxidase
Plos One, 9, 2014
7EFR
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BU of 7efr by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-23
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
7EFP
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BU of 7efp by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
6J6K
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BU of 6j6k by Molmil
Apo-state streptavidin
分子名称: Streptavidin
著者Fan, X, Wang, J, Lei, J.L, Wang, H.W.
登録日2019-01-15
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
6J9O
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BU of 6j9o by Molmil
Crystal structure of a free scFv molecule from a group 2 influenza A viruses HA binding antibody AF4H1K1
分子名称: Heavy chain of AF4H1K1 scFv, Light chain of AF4H1K1 scFv
著者Xiao, H.X, Qi, J.X, Gao, F.G.
登録日2019-01-23
公開日2020-01-29
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Light chain modulates heavy chain conformation to change protection profile of monoclonal antibodies against influenza A viruses.
Cell Discov, 5, 2019
6J6J
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BU of 6j6j by Molmil
Biotin-bound streptavidin
分子名称: BIOTIN, Streptavidin
著者Fan, X, Wang, J, Lei, J.L, Wang, H.W.
登録日2019-01-15
公開日2019-05-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
5YF1
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BU of 5yf1 by Molmil
Crystal structure of CARNMT1 bound to carnosine and SFG
分子名称: (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Cao, R, Li, H.
登録日2017-09-20
公開日2018-08-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Molecular basis for histidine N1 position-specific methylation by CARNMT1.
Cell Res., 28, 2018
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
7EOQ
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BU of 7eoq by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/CPP bound state
分子名称: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
著者Wang, H, Zhu, S.
登録日2021-04-22
公開日2021-06-30
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOT
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BU of 7eot by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the CGP-78608/glutamate bound state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
著者Wang, H, Zhu, S.
登録日2021-04-22
公開日2021-06-30
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOU
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BU of 7eou by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ...
著者Wang, H, Zhu, S.
登録日2021-04-22
公開日2021-06-30
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOS
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BU of 7eos by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate bound state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
著者Wang, H, Zhu, S.
登録日2021-04-22
公開日2021-06-30
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021

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