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5I1K
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CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV3-20
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, FAB HEAVY CHAIN, FAB LIGHT CHAIN, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
4PTK
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BU of 4ptk by Molmil
Crystal structure of Staphylococcal IMPase-I complex with 3Mg2+ and Phosphate
分子名称: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
著者Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
登録日2014-03-11
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
5WQW
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BU of 5wqw by Molmil
X-ray structure of catalytic domain of autolysin from Clostridium perfringens
分子名称: 1,2-ETHANEDIOL, N-acetylglucosaminidase
著者Tamai, E, Sekiya, H, Goda, E, Makihata, N, Maki, J, Yoshida, H, Kamitori, S.
登録日2016-11-29
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and biochemical characterization of the Clostridium perfringens autolysin catalytic domain
FEBS Lett., 591, 2017
5I1C
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BU of 5i1c by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-20
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FAB HEAVY CHAIN, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
4LZS
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BU of 4lzs by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD46
分子名称: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
5I1A
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BU of 5i1a by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-11
分子名称: ACETATE ION, CNTO388 HEAVY CHAIN, CNTO388 LIGHT CHAIN, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I1G
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BU of 5i1g by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV3-11
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I19
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BU of 5i19 by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV1-39
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I1J
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BU of 5i1j by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV3-11
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
4Q4E
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BU of 4q4e by Molmil
Crystal structure of E.coli aminopeptidase N in complex with actinonin
分子名称: ACTINONIN, Aminopeptidase N, GLYCEROL, ...
著者Reddi, R, Ganji, R.J, Addlagatta, A.
登録日2014-04-14
公開日2015-04-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.
Protein Sci., 24, 2015
5ICX
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BU of 5icx by Molmil
Cetuximab Fab in complex with CQFDLSTRRLRCGGSK meditope
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-02-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5ID1
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BU of 5id1 by Molmil
Cetuximab Fab in complex with MPT-Cys meditope
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2016-02-23
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6NI8
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BU of 6ni8 by Molmil
Pseudomonas fluorescens isocyanide hydratase rotating anode 298K
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cysteine modification can gate non-equilibrium conformational dynamics during enzyme catalysis
Biorxiv, 2019
4MY4
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BU of 4my4 by Molmil
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus.
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION
著者Roychowdhury, A, Kundu, A, Gujar, A, Bose, M, Das, A.K.
登録日2013-09-27
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
4XUG
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BU of 4xug by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ...
著者Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2015-01-25
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
7L23
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BU of 7l23 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: 3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzoic acid, IODIDE ION, Integrase, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-12-16
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening
To Be Published
4QAX
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BU of 4qax by Molmil
Crystal structure of post-catalytic binary complex of Phosphoglycerate mutase from Staphylococcus aureus
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION
著者Roychowdhury, A, Kundu, A, Bose, M, Gujar, A, Das, A.K.
登録日2014-05-06
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献STRUCTURAL AND FUNCCTIONAL ANALYSIS of PHOSPHOGLYCERATE MUTASE from STAPHYLOCOCCUS AUREUS
To be Published
5UGW
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BU of 5ugw by Molmil
STRUCTURE OF THE HUMAN TELOMERASE THUMB DOMAIN
分子名称: GLUTATHIONE, Telomerase reverse transcriptase
著者Skordalakes, E, Hoffman, H.
登録日2017-01-10
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Analysis Reveals the Deleterious Effects of Telomerase Mutations in Bone Marrow Failure Syndromes.
J. Biol. Chem., 292, 2017
5UI4
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BU of 5ui4 by Molmil
Structure of NME1 covalently conjugated to imidazole fluorosulfate
分子名称: 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A
著者Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W.
登録日2017-01-12
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献"Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates.
J. Am. Chem. Soc., 140, 2018
5UMY
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BU of 5umy by Molmil
Crystal structure of TnmS3 in complex with tiancimycin
分子名称: (1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione, Glyoxalase/bleomycin resisance protein/dioxygenase
著者Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG)
登録日2017-01-29
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Resistance to Enediyne Antitumor Antibiotics by Sequestration.
Cell Chem Biol, 25, 2018
4YRK
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BU of 4yrk by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (4-chlorophenyl)methanol (Chem 260)
分子名称: (4-chlorophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRP
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BU of 4yrp by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)
分子名称: 1,2-ETHANEDIOL, 1-(4-BROMOPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YIS
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BU of 4yis by Molmil
Crystal Structure of LAGLIDADG Meganuclease I-CpaMI Bound to Uncleaved DNA
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DNA (28-MER), ...
著者Hallinan, J.P, Kaiser, B.K, Stoddard, B.L.
登録日2015-03-02
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Indirect DNA Sequence Recognition and Its Impact on Nuclease Cleavage Activity.
Structure, 24, 2016
4Y6G
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BU of 4y6g by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site.
分子名称: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2015-02-13
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
6NX7
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BU of 6nx7 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5.6
分子名称: ACETIC ACID, CITRIC ACID, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019

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