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6EBA
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BU of 6eba by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation
分子名称: Major facilitator family transporter
著者Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
登録日2018-08-06
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.812 Å)
主引用文献Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
分子名称: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
著者Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
登録日2015-08-27
公開日2015-10-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
8EYZ
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BU of 8eyz by Molmil
Engineered glutamine binding protein bound to GLN and a cobaloxime ligand
分子名称: AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT, Amino acid ABC transporter substrate-binding protein, GLUTAMINE, ...
著者Bridwell-Rabb, J, Boggs, D.G, Olshansky, L, Fatima, S, Thompson, P.
登録日2022-10-29
公開日2022-11-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Engineering a Conformationally Switchable Artificial Metalloprotein.
J.Am.Chem.Soc., 144, 2022
5DP4
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BU of 5dp4 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 3
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP9
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Crystal Structure of EV71 3C Proteinase in complex with compound 9
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
1HWT
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BU of 1hwt by Molmil
STRUCTURE OF A HAP1/DNA COMPLEX REVEALS DRAMATICALLY ASYMMETRIC DNA BINDING BY A HOMODIMERIC PROTEIN
分子名称: DNA (5'-D(*GP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*C)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
著者King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
登録日1998-09-17
公開日1999-11-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a HAP1-DNA complex reveals dramatically asymmetric DNA binding by a homodimeric protein.
Nat.Struct.Biol., 6, 1999
5DP8
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BU of 5dp8 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 8
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DPA
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BU of 5dpa by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 6
分子名称: 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
7EW9
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BU of 7ew9 by Molmil
GDP-bound KRAS G12D in complex with TH-Z816
分子名称: 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWB
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BU of 7ewb by Molmil
GDP-bound KRAS G12D in complex with TH-Z835
分子名称: 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7EWA
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BU of 7ewa by Molmil
GDP-bound KRAS G12D in complex with TH-Z827
分子名称: 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
著者Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
登録日2021-05-25
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
分子名称: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
著者Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
登録日2017-12-06
公開日2018-05-02
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
5DP5
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BU of 5dp5 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 4
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP7
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BU of 5dp7 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 5
分子名称: 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
5DP3
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BU of 5dp3 by Molmil
Crystal Structure of EV71 3C Proteinase in complex with compound 2
分子名称: 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate
著者Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T.
登録日2015-09-12
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71
Biochim.Biophys.Acta, 1860, 2016
3PLA
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BU of 3pla by Molmil
Crystal structure of a catalytically active substrate-bound box C/D RNP from Sulfolobus solfataricus
分子名称: 50S ribosomal protein L7Ae, C/D guide RNA, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, ...
著者Lin, J, Lai, S, Jia, R, Xu, A, Zhang, L, Lu, J, Ye, K.
登録日2010-11-15
公開日2011-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structural basis for site-specific ribose methylation by box C/D RNA protein complexes.
Nature, 469, 2011
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
分子名称: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-10-15
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
6A67
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BU of 6a67 by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ...
著者Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
登録日2018-06-26
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies.
J. Biol. Chem., 293, 2018
2CGR
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BU of 2cgr by Molmil
LOCAL AND TRANSMITTED CONFORMATIONAL CHANGES ON COMPLEXATION OF AN ANTI-SWEETENER FAB
分子名称: IGG2B-KAPPA NC6.8 FAB (HEAVY CHAIN), IGG2B-KAPPA NC6.8 FAB (LIGHT CHAIN), N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
著者Guddat, L.W, Shan, L, Edmundson, A.B.
登録日1993-11-23
公開日1994-05-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Local and transmitted conformational changes on complexation of an anti-sweetener Fab.
J.Mol.Biol., 236, 1994
1CGS
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BU of 1cgs by Molmil
LOCAL AND TRANSMITTED CONFORMATIONAL CHANGES ON COMPLEXATION OF AN ANTI-SWEETENER FAB
分子名称: IGG2B-KAPPA NC6.8 FAB (HEAVY CHAIN), IGG2B-KAPPA NC6.8 FAB (LIGHT CHAIN)
著者Guddat, L.W, Shan, L, Edmundson, A.B.
登録日1993-10-06
公開日1994-05-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Local and transmitted conformational changes on complexation of an anti-sweetener Fab.
J.Mol.Biol., 236, 1994
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
分子名称: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
著者Gong, Y.C, Rao, Z.H, Zhang, L.
登録日2023-02-17
公開日2023-05-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
2K8P
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BU of 2k8p by Molmil
Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation
分子名称: Sclerostin
著者Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D.
登録日2008-09-18
公開日2009-02-17
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
8W72
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BU of 8w72 by Molmil
Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Fang, C, Zhang, L, Zhu, Y, Zhang, C.
登録日2023-08-30
公開日2024-06-12
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
8W6Z
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BU of 8w6z by Molmil
Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
分子名称: (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fang, C, Zhang, L, Zhu, Y, Zhang, C.
登録日2023-08-30
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
To Be Published
6G3O
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BU of 6g3o by Molmil
Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide
分子名称: (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ...
著者Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E.
登録日2018-03-26
公開日2018-06-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Bioorg. Med. Chem. Lett., 28, 2018

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