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PDB: 2074 件

2AV8
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Y122F MUTANT OF RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI
分子名称: FE (II) ION, MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2
著者Han, S, Arvai, A, Tainer, J.A.
登録日1997-09-30
公開日1998-10-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
4H1J
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Crystal structure of PYK2 with the pyrazole 13a
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4H1M
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Crystal structure of PYK2 with the indole 10c
分子名称: 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta
著者Han, S.
登録日2012-09-10
公開日2012-11-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4L0L
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Crystal structure of P.aeruginosa PBP3 in complex with compound 4
分子名称: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3
著者Han, S, Marr, E.S.
登録日2013-05-31
公開日2013-08-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
4M0Y
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Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M13
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Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M14
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Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
分子名称: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
4OOL
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BU of 4ool by Molmil
Crystal structure of PBP3 in complex with compound 14 ((2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid)
分子名称: (2E)-2-({[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methoxy]imino}acetyl]amino}-3-oxopropyl]oxy}imino)pentanedioic acid, Cell division protein FtsI [Peptidoglycan synthetase]
著者Han, S, Caspers, N, Knafels, J.D.
登録日2014-02-03
公開日2014-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
8HAS
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BU of 8has by Molmil
NARROW LEAF 1-close from Japonica
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1
著者Zhang, S.J, He, Y.J, Wang, N, Zhang, W.J, Liu, C.M.
登録日2022-10-26
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献NARROW LEAF 1-close from Japonica
To Be Published
8HAU
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BU of 8hau by Molmil
NARROW LEAF 1 from Indica
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Protein NARROW LEAF 1
著者Zhang, S.J, He, Y.J, Wang, N, Zhang, W.J, Liu, C.M.
登録日2022-10-26
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献NARROW LEAF 1 from Indica
To Be Published
8HAT
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BU of 8hat by Molmil
NARROW LEAF 1-open from Japonica
分子名称: Protein NARROW LEAF 1
著者Zhang, S.J, He, Y.J, Wang, N, Zhang, W.J, Liu, C.M.
登録日2022-10-26
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献NARROW LEAF 1-open from Japonica
To Be Published
7BXU
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BU of 7bxu by Molmil
CLC-7/Ostm1 membrane protein complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1
著者Zhang, S.S, Yang, M.J.
登録日2020-04-20
公開日2020-09-16
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular insights into the human CLC-7/Ostm1 transporter.
Sci Adv, 6, 2020
5G05
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BU of 5g05 by Molmil
Cryo-EM structure of combined apo phosphorylated APC
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
著者Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
5G04
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BU of 5g04 by Molmil
Structure of the human APC-Cdc20-Hsl1 complex
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 1, ANAPHASE-PROMOTING COMPLEX SUBUNIT 10, ANAPHASE-PROMOTING COMPLEX SUBUNIT 11, ...
著者Zhang, S, Chang, L, Alfieri, C, Zhang, Z, Yang, J, Maslen, S, Skehel, M, Barford, D.
登録日2016-03-16
公開日2016-05-25
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Molecular Mechanism of Apc/C Activation by Mitotic Phosphorylation.
Nature, 533, 2016
3U2H
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BU of 3u2h by Molmil
Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein
分子名称: GLYCEROL, S-layer protein MA0829
著者Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A.
登録日2011-10-03
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
3U2G
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BU of 3u2g by Molmil
Crystal structure of the C-terminal DUF1608 domain of the Methanosarcina acetivorans S-layer (MA0829) protein
分子名称: AMMONIUM ION, CITRIC ACID, GLYCEROL, ...
著者Chan, S, Phan, T, Ahn, C.J, Shin, A, Rohlin, L, Gunsalus, R.P, Arbing, M.A.
登録日2011-10-03
公開日2012-07-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the surface layer of the methanogenic archaean Methanosarcina acetivorans.
Proc.Natl.Acad.Sci.USA, 109, 2012
4NFT
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BU of 4nft by Molmil
Crystal structure of human lnkH2B-h2A.Z-Anp32e
分子名称: Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z
著者Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z.
登録日2013-11-01
公開日2014-04-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
7BUA
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BU of 7bua by Molmil
Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 8.0
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BUD
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BU of 7bud by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 8.0
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, Dengue virus serotype 2 E protein, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BUE
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BU of 7bue by Molmil
Cryo-EM structure of Dengue virus serotype 2 complexed with Fab SIgN-3C at pH 5.0
分子名称: Dengue serotype 2 E protein ectodomain, SIgN-3C Fab heavy chain, SIgN-3C Fab light chain
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-06
公開日2020-05-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020
7BU8
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BU of 7bu8 by Molmil
Cryo-EM structure of zika virus complexed with Fab SIgN-3C at pH 6.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SIgN-3C Fab heavy chain, ...
著者Zhang, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Lok, S.M.
登録日2020-04-05
公開日2020-05-13
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A Human Antibody Neutralizes Different Flaviviruses by Using Different Mechanisms.
Cell Rep, 31, 2020

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