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1GYX
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BU of 1gyx by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZOIC ACID, HYPOTHETICAL PROTEIN YDCE
著者Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
登録日2002-04-30
公開日2002-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
1GYJ
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BU of 1gyj by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
分子名称: HYPOTHETICAL PROTEIN YDCE
著者Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
登録日2002-04-23
公開日2002-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
1GYY
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BU of 1gyy by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
分子名称: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, HYPOTHETICAL PROTEIN YDCE
著者Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
登録日2002-04-30
公開日2002-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
5IQO
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BU of 5iqo by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitutions Q134E and S138E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, PENTAETHYLENE GLYCOL, ...
著者Giese, C, Eras, J, Kern, A, Capitani, G, Glockshuber, R.
登録日2016-03-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
5IQM
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BU of 5iqm by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_T4R-T6R-D13N
分子名称: COBALT (II) ION, Protein FimF, Protein FimG
著者Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R.
登録日2016-03-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
5IQN
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BU of 5iqn by Molmil
Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ...
著者Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R.
登録日2016-03-11
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.
Angew.Chem.Int.Ed.Engl., 55, 2016
5OM7
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BU of 5om7 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a drug-binding serpin for doxorubicin
分子名称: Alpha-1-antichymotrypsin, DOXORUBICIN
著者Schmidt, K, Kern, A, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.727 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FTP
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BU of 6ftp by Molmil
Crystal form 1 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, DOXORUBICIN
著者Schmidt, K, Muller, Y.A.
登録日2018-02-22
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7LGK
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BU of 7lgk by Molmil
Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain
分子名称: CHLORIDE ION, GLYCEROL, H-NOX domain protein, ...
著者van den Akker, F, Kumar, V, Schaefer, M.
登録日2021-01-20
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).
J.Med.Chem., 64, 2021
7JWG
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BU of 7jwg by Molmil
OspA-Fab 221-7 complex structure
分子名称: Antibody 221-7 Fab heavy chain, Antibody 221-7 Fab light chain, Outer surface protein A
著者Rudolph, M.J.
登録日2020-08-25
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody.
J.Clin.Invest., 131, 2021
5OM6
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BU of 5om6 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM8
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BU of 5om8 by Molmil
Crystal form 2 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM5
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BU of 5om5 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo1: an allosterically triggered drug-binding serpin for doxycycline
分子名称: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM2
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BU of 5om2 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline
分子名称: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM3
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BU of 5om3 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I5: a MMP14-cleavable drug-binding serpin for doxycycline
分子名称: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, Alpha-1-antichymotrypsin, DI(HYDROXYETHYL)ETHER
著者Schmidt, K, Muller, Y.A.
登録日2017-07-28
公開日2018-05-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
分子名称: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
著者Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
4JA8
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Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor
分子名称: 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ...
著者Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B.
登録日2013-02-18
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation.
Science, 340, 2013

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