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4IJM
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BU of 4ijm by Molmil
Crystal structure of circadian clock protein KaiC A422V mutant
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION, ...
著者Egli, M, Pattanayek, R.
登録日2012-12-21
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Loop-Loop Interactions Regulate KaiA-Stimulated KaiC Phosphorylation in the Cyanobacterial KaiABC Circadian Clock.
Biochemistry, 52, 2013
3HHU
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BU of 3hhu by Molmil
Human heat-shock protein 90 (HSP90) in complex with {4-[3-(2,4-dihydroxy-5-isopropyl-phenyl)-5-thioxo- 1,5-dihydro-[1,2,4]triazol-4-yl]-benzyl}-carbamic acid ethyl ester {ZK 2819}
分子名称: Heat shock protein HSP 90-alpha, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
著者Adler, M, Whitlow, M.
登録日2009-05-17
公開日2009-07-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent triazolothione inhibitor of heat-shock protein-90.
Chem.Biol.Drug Des., 74, 2009
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
分子名称: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
1XCD
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BU of 1xcd by Molmil
Dimeric bovine tissue-extracted decorin, crystal form 1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin
著者Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
登録日2004-09-01
公開日2004-11-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
1XEC
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BU of 1xec by Molmil
Dimeric bovine tissue-extracted decorin, crystal form 2
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, Decorin
著者Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
登録日2004-09-09
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.USA, 101, 2004
1JOL
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BU of 1jol by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Lee, H, Reyes, V.M, Kraut, J.
登録日1996-02-25
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
1JOM
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BU of 1jom by Molmil
THE CRYSTAL STRUCTURE OF THE BINARY COMPLEX BETWEEN FOLINIC ACID (LEUCOVORIN) AND E. COLI DIHYDROFOLATE REDUCTASE
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Reyes, V.M, Lee, H, Kraut, J.
登録日1996-02-25
公開日1996-11-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Escherichia coli dihydrofolate reductase complexed with 5-formyltetrahydrofolate (folinic acid) in two space groups: evidence for enolization of pteridine O4.
Biochemistry, 35, 1996
7VYT
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BU of 7vyt by Molmil
Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131
分子名称: CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ...
著者Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural and functional characterization of a monoclonal antibody blocking TIGIT.
Mabs, 14, 2022
7TAI
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BU of 7tai by Molmil
Structure of STEAP2 in complex with ligands
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Wang, L, Chen, K.H, Zhou, M.
登録日2021-12-20
公開日2023-01-25
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Mechanism of stepwise electron transfer in six-transmembrane epithelial antigen of the prostate (STEAP) 1 and 2.
Elife, 12, 2023
5JSG
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BU of 5jsg by Molmil
Crystal structure of Spindlin1 bound to compound EML405
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
1DRA
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BU of 1dra by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Oatley, S.J, Kraut, J.
登録日1991-11-06
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding.
Biochemistry, 30, 1991
5JSJ
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BU of 5jsj by Molmil
Crystal structure of Spindlin1 bound to compound EML631
分子名称: CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ...
著者Su, X, Li, H.
登録日2016-05-08
公開日2017-05-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Developing Spindlin1 small-molecule inhibitors by using protein microarrays
Nat. Chem. Biol., 13, 2017
3J42
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BU of 3j42 by Molmil
Obstruction of Dengue Virus Maturation by Fab Fragments of the 2H2 Antibody
分子名称: Envelope protein E, Ig heavy chain V region MOPC 21, Igh protein chimera, ...
著者Wang, Z, Pennington, J.G, Jiang, W, Rossmann, M.G.
登録日2013-06-13
公開日2013-07-17
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (21 Å)
主引用文献Obstruction of Dengue Virus Maturation by Fab Fragments of the 2H2 Antibody.
J.Virol., 87, 2013
1DRB
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BU of 1drb by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者David, C, Kraut, J.
登録日1991-11-06
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding.
Biochemistry, 30, 1991
1DYJ
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BU of 1dyj by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
分子名称: 5,10-DIDEAZATETRAHYDROFOLIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Reyes, V.M, Kraut, J.
登録日1994-10-26
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
1DYH
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BU of 1dyh by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
分子名称: 5-DEAZAFOLIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Reyes, V.M, Kraut, J.
登録日1994-10-26
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
1DYI
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BU of 1dyi by Molmil
ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Reyes, V.M, Kraut, J.
登録日1994-10-26
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
2WQY
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BU of 2wqy by Molmil
Remodelling of carboxin binding to the Q-site of avian respiratory complex II
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, AZIDE ION, ...
著者Ruprecht, J, Iwata, S, Cecchini, G.
登録日2009-08-27
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Remodelling of Carboxin Binding to the Q-Site of Avian Respiratory Complex II
To be Published
3DRC
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BU of 3drc by Molmil
INVESTIGATION OF THE FUNCTIONAL ROLE OF TRYPTOPHAN-22 IN ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE BY SITE-DIRECTED MUTAGENESIS
分子名称: CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ...
著者Oatley, S.J, Kraut, J.
登録日1992-09-22
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Investigation of the functional role of tryptophan-22 in Escherichia coli dihydrofolate reductase by site-directed mutagenesis.
Biochemistry, 30, 1991
7S0Z
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BU of 7s0z by Molmil
Structures of TcdB in complex with R-Ras
分子名称: 1,2-ETHANEDIOL, ACETATE ION, AMMONIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
7S0Y
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BU of 7s0y by Molmil
Structures of TcdB in complex with Cdc42
分子名称: Cell division control protein 42 homolog, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Zheng, L, Rongsheng, J, Peng, C.
登録日2021-08-31
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Sci Adv, 7, 2021
1XKU
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BU of 1xku by Molmil
Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Decorin
著者Scott, P.G, McEwan, P.A, Dodd, C.M, Bergmann, E.M, Bishop, P.N, Bella, J.
登録日2004-09-29
公開日2004-11-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the dimeric protein core of decorin, the archetypal small leucine-rich repeat proteoglycan
Proc.Natl.Acad.Sci.Usa, 101, 2004
2F7E
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PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine
分子名称: (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ...
著者Stoll, V.S.
登録日2005-11-30
公開日2006-06-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.
Bioorg.Med.Chem.Lett., 16, 2006
4OKG
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BU of 4okg by Molmil
LpxC from P.aeruginosa with the inhibitor 6-(benzimidazol-1-yl)-5-[4-[2-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridyl]ethynyl]phenyl]pyridine-3-carbohydroxamic acid
分子名称: 6-(1H-benzimidazol-1-yl)-N-hydroxy-5-[4-({6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl}ethynyl)phenyl]pyridine-3-carboxamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION
著者Olivier, N.B, Lahiri, S.D, Prince, D.B.
登録日2014-01-22
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Overexpression of Pseudomonas aeruginosa LpxC in the Presence of an Inhibitor in an acrB Deletion Escherichia coli strain for Structural Studies
Protein Express.Purif., 2014
185D
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SEQUENCE SPECIFICITY OF QUINOXALINE ANTIBIOTICS. 1. SOLUTION STRUCTURE OF A 1:1 COMPLEX BETWEEN TRIOSTIN A AND [D(GACGTC)]2 AND COMPARISON WITH THE SOLUTION STRUCTURE OF THE [N-MECYS3, N-MECYS7]TANDEM-[D(GATATC)]2 COMPLEX
分子名称: 2-CARBOXYQUINOXALINE, DNA (5'-D(*GP*AP*CP*GP*TP*C)-3'), TRIOSTIN A
著者Addess, K.J, Feigon, J.
登録日1994-08-10
公開日1995-02-07
最終更新日2017-11-01
実験手法SOLUTION NMR
主引用文献Sequence Specificity of Quinoxaline Antibiotics. 1. Solution Structure of a 1:1 Complex between Triostin a and [D(Gacgtc)]2 and Comparison with the Solution Structure of the [N-Mecys3,N-Mecys7]Tandem-[D(Gatatc)]2 Complex.
Biochemistry, 33, 1994

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