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5V6Q
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Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADP and malonate
分子名称: MALONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-dependent glyoxylate/hydroxypyruvate reductase, ...
著者Shabalin, I.G, Handing, K.B, Miezaniec, A.P, Gasiorowska, O.A, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2017-03-17
公開日2017-03-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
5UNT
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BU of 5unt by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[(3-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine
分子名称: 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5UO6
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BU of 5uo6 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5XYL
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BU of 5xyl by Molmil
Solution Structure of Skp1 from Homo sapiens
分子名称: S-phase kinase-associated protein 1
著者Shukla, V.K, Kachariya, N.N, Bhattacharya, A, Dantu, S.C, Kumar, A.
登録日2017-07-09
公開日2018-07-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural and dynamics insight of the recognition of Fbox protein by Skp1
To Be Published
5YIO
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BU of 5yio by Molmil
NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase
分子名称: ATP synthase epsilon chain
著者Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G.
登録日2017-10-06
公開日2018-10-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The NMR solution structure of Mycobacterium tuberculosis F-ATP synthase subunit epsilon provides new insight into energy coupling inside the rotary engine.
FEBS J., 285, 2018
3G2F
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BU of 3g2f by Molmil
Crystal structure of the kinase domain of bone morphogenetic protein receptor type II (BMPR2) at 2.35 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
著者Chaikuad, A, Thangaratnarajah, C, Roos, A.K, Filippakopoulos, P, Salah, E, Phillips, C, Keates, T, Fedorov, O, Chalk, R, Petrie, K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC)
登録日2009-01-31
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension.
Sci Rep, 9, 2019
4J0Q
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BU of 4j0q by Molmil
Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-31
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J25
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BU of 4j25 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, Putative uncharacterized protein
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-02-04
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
5Z9A
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BU of 5z9a by Molmil
Crystal structure of chorismate synthase from Pseudomonas aeruginosa
分子名称: Chorismate synthase
著者Iqbal, N, Chaudhary, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2018-02-02
公開日2018-02-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal structure of chorismate synthase from Pseudomonas aeruginosa
To Be Published
6KLW
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BU of 6klw by Molmil
Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore with long stem
分子名称: CALCIUM ION, Iota toxin component Ia, Iota toxin component Ib
著者Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
登録日2019-07-30
公開日2020-01-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
5Z9E
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BU of 5z9e by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Huang, X, Zhou, H.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9N
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BU of 5z9n by Molmil
S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine
分子名称: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
1O97
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BU of 1o97 by Molmil
Structure of electron transferring flavoprotein from Methylophilus methylotrophus, recognition loop removed by limited proteolysis
分子名称: ADENOSINE MONOPHOSPHATE, ELECTRON TRANSFERRING FLAVOPROTEIN ALPHA-SUBUNIT, ELECTRON TRANSFERRING FLAVOPROTEIN BETA-SUBUNIT, ...
著者Leys, D, Basran, J, Talfournier, F, Sutcliffe, M.J, Scrutton, N.S.
登録日2002-12-11
公開日2003-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extensive Conformational Sampling in a Ternary Electron Transfer Complex.
Nat.Struct.Biol., 10, 2003
6K31
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BU of 6k31 by Molmil
Crystal structure of pyrophosphate-dependent phosphoenolpyruvate carboxykinase (PPi-PEPCK)
分子名称: AiPEPCK, COBALT (II) ION
著者Chiba, Y, Miyakawa, T, Tanokura, M.
登録日2019-05-15
公開日2019-11-06
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural comparisons of phosphoenolpyruvate carboxykinases reveal the evolutionary trajectories of these phosphodiester energy conversion enzymes.
J.Biol.Chem., 294, 2019
7QD8
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BU of 7qd8 by Molmil
Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in apo state
分子名称: Transposase for transposon Tn4430
著者Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
登録日2021-11-26
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7QD4
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BU of 7qd4 by Molmil
Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 100 bp long transposon end DNA
分子名称: IR100 DNA substrate, none transferred strand, transferred strand, ...
著者Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
登録日2021-11-26
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
5HJ5
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BU of 5hj5 by Molmil
Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE-6-PHOSPHATE
分子名称: 6-O-phosphono-beta-D-glucopyranose, ACETIC ACID, FRUCTOSE -6-PHOSPHATE, ...
著者Chang, C, Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-12
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE -6-PHOSPHATE
To Be Published
4ZJW
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BU of 4zjw by Molmil
RORgamma in complex with inverse agonist 16
分子名称: 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2015-04-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
7QD6
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BU of 7qd6 by Molmil
Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with strand-transfer like DNA product
分子名称: IR71st non transferred strand, IR71st transferred strand, Transposase for transposon Tn4430
著者Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
登録日2021-11-26
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7QD5
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BU of 7qd5 by Molmil
Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 48 bp long transposon end DNA
分子名称: IR48 DNA substrate, non transferred strand, IR48 transferred strand, ...
著者Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
登録日2021-11-26
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
5Z9F
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BU of 5z9f by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
6KLX
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BU of 6klx by Molmil
Pore structure of Iota toxin binding component (Ib)
分子名称: CALCIUM ION, Iota toxin component Ib
著者Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
登録日2019-07-30
公開日2020-01-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
5Z9L
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BU of 5z9l by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
2BQ2
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BU of 2bq2 by Molmil
Solution Structure of the DNA Duplex ACGCGU-NA with a 2' Amido-Linked Nalidixic Acid Residue at the 3' Terminal Nucleotide
分子名称: 5'-D(*AP*CP*GP*CP*GP*2AU)-3', NALIDIXIC ACID
著者Siegmund, K, Maheshwary, S, Narayanan, S, Connors, W, Richert, M.
登録日2005-04-26
公開日2006-08-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular details of quinolone-DNA interactions: solution structure of an unusually stable DNA duplex with covalently linked nalidixic acid residues and non-covalent complexes derived from it.
Nucleic Acids Res., 33, 2005
5W2O
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BU of 5w2o by Molmil
Crystal structure of Mycobacterium tuberculosis KasA
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018

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