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2KCE
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BU of 2kce by Molmil
BINDING OF THE ANTICANCER DRUG ZD1694 TO E. COLI THYMIDYLATE SYNTHASE: ASSESSING SPECIFICITY AND AFFINITY
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE, TOMUDEX
Authors:Rutenber, E.E, Stroud, R.M.
Deposit date:1997-06-09
Release date:1997-11-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of the anticancer drug ZD1694 to E. coli thymidylate synthase: assessing specificity and affinity.
Structure, 4, 1996
7KPP
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BU of 7kpp by Molmil
Structure of the E102A mutant of a GNAT superfamily PA3944 acetyltransferase
Descriptor: 1,2-ETHANEDIOL, Acetyltransferase PA3944, COENZYME A, ...
Authors:Czub, M.P, Porebski, P.J, Majorek, K.A, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
6SWJ
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BU of 6swj by Molmil
The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus (with Pt)
Descriptor: Histidine kinase, PLATINUM (II) ION
Authors:Lansky, S, Shiradski, M, Lavid, N, Shoham, Y, Shoham, G.
Deposit date:2019-09-22
Release date:2020-10-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:The kinase domain of GanS, a histidine kinase from Geobacillus stearothermophilus (with Pt)
To Be Published
7Q12
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BU of 7q12 by Molmil
Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ...
Authors:McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W.
Deposit date:2021-10-17
Release date:2022-07-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Nat.Struct.Mol.Biol., 29, 2022
7Q0B
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BU of 7q0b by Molmil
Human GYS1-GYG1 complex inhibited state
Descriptor: Glycogen [starch] synthase, muscle, Glycogenin-1
Authors:McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W.
Deposit date:2021-10-14
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Nat.Struct.Mol.Biol., 29, 2022
6SX4
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BU of 6sx4 by Molmil
Structure of C. glutamicum mycoloyltransferase A
Descriptor: ACETATE ION, Protein PS1
Authors:Li de la Sierra-Gallay, I, Van tilbeurgh, H, Bayan, N.
Deposit date:2019-09-24
Release date:2020-03-04
Last modified:2020-07-22
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:The C-terminal domain of Corynebacterium glutamicum mycoloyltransferase A is composed of five repeated motifs involved in cell wall binding and stability.
Mol.Microbiol., 114, 2020
7W93
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BU of 7w93 by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with N1-methyl-pseudouridine
Descriptor: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione, POTASSIUM ION, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-12-09
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7KPS
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BU of 7kps by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with AcCoA
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL COENZYME *A, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Reidl, C.T, Becker, D.P, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-11-12
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gcn5-Related N- Acetyltransferases (GNATs) With a Catalytic Serine Residue Can Play Ping-Pong Too.
Front Mol Biosci, 8, 2021
7Q13
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BU of 7q13 by Molmil
Human GYS1-GYG1 complex activated state bound to glucose-6-phosphate, uridine diphosphate, and glucose
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ...
Authors:McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W.
Deposit date:2021-10-17
Release date:2022-07-27
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Nat.Struct.Mol.Biol., 29, 2022
7Q0S
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BU of 7q0s by Molmil
Human GYS1-GYG1 complex inhibited-like state bound to glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Glycogen [starch] synthase, muscle, ...
Authors:McCorvie, T.J, Shrestha, L, Froese, D.S, Ferreira, I.M, Yue, W.W.
Deposit date:2021-10-16
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular basis for the regulation of human glycogen synthase by phosphorylation and glucose-6-phosphate.
Nat.Struct.Mol.Biol., 29, 2022
5ZHE
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BU of 5zhe by Molmil
STRUCTURE OF E. COLI UNDECAPRENYL DIPHOSPHATE SYNTHASE IN COMPLEX WITH BPH-981
Descriptor: 2-hydroxy-6-(tetradecyloxy)benzoic acid, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)
Authors:Gao, J, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
7KYE
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BU of 7kye by Molmil
Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetyltransferase PA3944, ...
Authors:Czub, M.P, Porebski, P.J, Cymborowski, M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-07
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of a GNAT superfamily PA3944 acetyltransferase in complex with CHES
To Be Published
6SZG
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BU of 6szg by Molmil
Acinetobacter baumannii undecaprenyl pyrophosphate synthase (AB-UppS) in complex with GR839 and GSK513
Descriptor: (4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone, 4,5,6,7-tetrahydro-2~{H}-indazole-3-carboxylic acid, CALCIUM ION, ...
Authors:Thorpe, J.H.
Deposit date:2019-10-02
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 76, 2020
6P8B
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BU of 6p8b by Molmil
E.coli LpxD in complex with peptide FITC-RJPXD33
Descriptor: 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, FITC-RJPXD33, MAGNESIUM ION, ...
Authors:Ma, X, Shia, S.
Deposit date:2019-06-06
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
3HO9
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BU of 3ho9 by Molmil
Structure of E.coli FabF(C163A) in complex with Platencin A1
Descriptor: 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2009-06-01
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis.
Bioorg.Med.Chem.Lett., 19, 2009
5ZJV
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BU of 5zjv by Molmil
Crystal structure of the catalytic domain of MCR-1 (cMCR-1) in complex with xylose
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-L-xylopyranose
Authors:Liu, Z.X, Han, Z, Yu, X.L, Wen, G, Zeng, C.
Deposit date:2018-03-22
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the Catalytic Domain of MCR-1 (cMCR-1) in Complex with d-Xylose
Crystals, 8, 2018
5IDM
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BU of 5idm by Molmil
Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ...
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2016-02-24
Release date:2016-10-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking.
Sci Adv, 2, 2016
7VYU
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BU of 7vyu by Molmil
Crystal structure of NatS
Descriptor: 3-oxoacyl-ACP synthase
Authors:Yu, Y, He, C, Wu, L, Zhang, Y.
Deposit date:2021-11-15
Release date:2022-08-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of NatS
To Be Published
2VG4
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BU of 2vg4 by Molmil
Rv2361 native
Descriptor: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE
Authors:Naismith, J.H, Wang, W, Dong, C.
Deposit date:2007-11-08
Release date:2007-11-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural basis of chain length control in Rv1086.
J. Mol. Biol., 381, 2008
6P9P
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BU of 6p9p by Molmil
E.coli LpxA in complex with Compound 1
Descriptor: 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, ...
Authors:Ma, X, Shia, S, Ornelas, E.
Deposit date:2019-06-10
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
6SDQ
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BU of 6sdq by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
Descriptor: 2-methoxy-5-nitro-phenol, Farnesyl diphosphate synthase, SULFATE ION, ...
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-07-29
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n
To Be Published
7KWJ
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BU of 7kwj by Molmil
Spermidine N-acetyltransferase SpeG K23-Q34 chimera from Vibrio cholerae and hSSAT
Descriptor: Spermidine N(1)-acetyltransferase
Authors:Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
Deposit date:2020-12-01
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021
4DU5
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BU of 4du5 by Molmil
Crystal structure of PfkB protein from Polaromonas sp. JS666
Descriptor: CHLORIDE ION, PfkB
Authors:Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hellerich, B, Kar, A, Lafleur, J, Siedel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-21
Release date:2012-03-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of PfkB protein from Polaromonas sp. JS666
To be Published
6PCD
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BU of 6pcd by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
Descriptor: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
Authors:Sukritee, B, Panjikar, S.
Deposit date:2019-06-17
Release date:2020-05-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6SF8
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BU of 6sf8 by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
Descriptor: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, Farnesyl diphosphate synthase, SULFATE ION
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-08-01
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j51
To Be Published

225399

数据于2024-09-25公开中

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