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6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
4CF7
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BU of 4cf7 by Molmil
Crystal structure of adenylate kinase from Aquifex aeolicus with MgADP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, ...
Authors:Kerns, S.J, Agafonov, R.V, Cho, Y.-J, Pontiggia, F, Otten, R, Pachov, D.V, Kutter, S, Phung, L.A, Murphy, P.N, Thai, V, Hagan, M.F, Kern, D.
Deposit date:2013-11-13
Release date:2014-12-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:The Energy Landscape of Adenylate Kinase During Catalysis.
Nat.Struct.Mol.Biol., 22, 2015
1GG8
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BU of 1gg8 by Molmil
DESIGN OF INHIBITORS OF GLYCOGEN PHOSPHORYLASE: A STUDY OF ALPHA-AND BETA-C-GLUCOSIDES AND 1-THIO-BETA-D-GLUCOSE COMPOUNDS
Descriptor: ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE, INOSINIC ACID, PROTEIN (GLYCOGEN PHOSPHORYLASE), ...
Authors:Watson, K.A, Mitchell, E.P, Johnson, L.N, Son, J.C, Bichard, C.J, Orchard, M.G, Fleet, G.W, Oikonomakos, N.G, Leonidas, D.D, Kontou, M, Papageorgiou, A.C.
Deposit date:2000-07-30
Release date:2000-08-23
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design of inhibitors of glycogen phosphorylase: a study of alpha- and beta-C-glucosides and 1-thio-beta-D-glucose compounds.
Biochemistry, 33, 1994
4FWO
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BU of 4fwo by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GMP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
1GA7
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BU of 1ga7 by Molmil
CRYSTAL STRUCTURE OF THE ADP-RIBOSE PYROPHOSPHATASE IN COMPLEX WITH GD+3
Descriptor: GADOLINIUM ION, HYPOTHETICAL 23.7 KDA PROTEIN IN ICC-TOLC INTERGENIC REGION
Authors:Gabelli, S.B, Bianchet, M.A, Bessman, M.J, Amzel, L.M.
Deposit date:2000-11-29
Release date:2001-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:The structure of ADP-ribose pyrophosphatase reveals the structural basis for the versatility of the Nudix family.
Nat.Struct.Biol., 8, 2001
4FWQ
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BU of 4fwq by Molmil
Crystal structure of Salmonella typhimurium propionate kinase (TdcD) in complex with GTP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, Propionate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2012-07-01
Release date:2013-06-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mechanistic features of Salmonella typhimurium propionate kinase (TdcD): insights from kinetic and crystallographic studies.
Biochim.Biophys.Acta, 1834, 2013
1FX2
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BU of 1fx2 by Molmil
STRUCTURAL ANALYSIS OF ADENYLATE CYCLASES FROM TRYPANOSOMA BRUCEI IN THEIR MONOMERIC STATE
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, RECEPTOR-TYPE ADENYLATE CYCLASE GRESAG 4.1, SULFATE ION
Authors:Bieger, B, Essen, L.-O.
Deposit date:2000-09-25
Release date:2001-02-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural analysis of adenylate cyclases from Trypanosoma brucei in their monomeric state.
EMBO J., 20, 2001
6WQX
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BU of 6wqx by Molmil
Human PRPK-TPRKB complex
Descriptor: EKC/KEOPS complex subunit TP53RK, EKC/KEOPS complex subunit TPRKB, MAGNESIUM ION, ...
Authors:Li, J, Ma, X.L, Banerjee, S, Dong, Z.G.
Deposit date:2020-04-29
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal structure of the human PRPK-TPRKB complex.
Commun Biol, 4, 2021
7RAP
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BU of 7rap by Molmil
Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin
Descriptor: Heterogeneous-backbone analogue of lasiocepsin
Authors:Cabalteja, C.C, Horne, W.S.
Deposit date:2021-07-02
Release date:2022-05-04
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold.
Acs Chem.Biol., 17, 2022
8POT
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BU of 8pot by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ...
Authors:Palencia, A, Hoffmann, G.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
6VVG
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BU of 6vvg by Molmil
Structure of the Cydia pomonella Granulovirus kinase, PK-1
Descriptor: ADENOSINE MONOPHOSPHATE, Arginine kinase
Authors:Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P.
Deposit date:2020-02-17
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
6J53
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BU of 6j53 by Molmil
Crystal structure of human HINT1 complexing with ATP
Descriptor: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-10
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J58
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BU of 6j58 by Molmil
Crystal structure of human HINT1 complexing with AP4A
Descriptor: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2019-01-10
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5KKG
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BU of 5kkg by Molmil
Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ...
Authors:Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V.
Deposit date:2016-06-21
Release date:2017-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
5L3Q
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BU of 5l3q by Molmil
Structure of the GTPase heterodimer of human SRP54 and SRalpha
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Wild, K, Segnitz, B, Sinning, I.
Deposit date:2016-05-24
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
1AK2
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BU of 1ak2 by Molmil
ADENYLATE KINASE ISOENZYME-2
Descriptor: ADENYLATE KINASE ISOENZYME-2, SULFATE ION
Authors:Schlauderer, G.J, Schulz, G.E.
Deposit date:1995-12-29
Release date:1996-06-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The structure of bovine mitochondrial adenylate kinase: comparison with isoenzymes in other compartments.
Protein Sci., 5, 1996
6MCP
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BU of 6mcp by Molmil
L. pneumophila effector kinase LegK7 (AMP-PNP bound) in complex with human MOB1A
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, LegK7, ...
Authors:Beyrakhova, K.A, Xu, C, Boniecki, M.T, Cygler, M.
Deposit date:2018-09-01
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:TheLegionellakinase LegK7 exploits the Hippo pathway scaffold protein MOB1A for allostery and substrate phosphorylation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6N0T
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BU of 6n0t by Molmil
tRNA ligase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ...
Authors:Banerjee, A, Goldgur, Y, Shuman, S.
Deposit date:2018-11-07
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.511 Å)
Cite:Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
6N0V
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BU of 6n0v by Molmil
tRNA ligase
Descriptor: MANGANESE (II) ION, tRNA ligase
Authors:Banerjee, A, Goldgur, Y, Shuman, S.
Deposit date:2018-11-07
Release date:2019-01-09
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
1LPU
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BU of 1lpu by Molmil
Low Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays
Descriptor: BENZAMIDINE, Protein kinase CK2
Authors:Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D.
Deposit date:2002-05-08
Release date:2002-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
8IQU
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BU of 8iqu by Molmil
Structure of MtbFadD23 with PhU-AMS
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23
Authors:Yan, M.R, Zhang, W.
Deposit date:2023-03-17
Release date:2023-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
1LR4
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BU of 1lr4 by Molmil
Room Temperature Crystal Structure of the Apo-form of the catalytic subunit of protein kinase CK2 from Zea mays
Descriptor: BENZAMIDINE, Protein kinase CK2
Authors:Niefind, K, Puetter, M, Guerra, B, Issinger, O.-G, Schomburg, D.
Deposit date:2002-05-14
Release date:2002-05-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inclining the purine base binding plane in protein kinase CK2 by exchanging the flanking side-chains generates a preference for ATP as a cosubstrate.
J.Mol.Biol., 347, 2005
1AD5
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BU of 1ad5 by Molmil
SRC FAMILY KINASE HCK-AMP-PNP COMPLEX
Descriptor: CALCIUM ION, HAEMATOPOETIC CELL KINASE HCK, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Sicheri, F, Moarefi, I, Kuriyan, J.
Deposit date:1997-02-20
Release date:1997-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Src family tyrosine kinase Hck.
Nature, 385, 1997
7XN3
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BU of 7xn3 by Molmil
E.coli phosphoribosylpyrophosphate (PRPP) synthetase type B filament bound with Pi
Descriptor: PHOSPHATE ION, Ribose-phosphate pyrophosphokinase
Authors:Hu, H.H, Lu, G.M, Chang, C.C, Liu, J.L.
Deposit date:2022-04-27
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Filamentation modulates allosteric regulation of PRPS.
Elife, 11, 2022

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数据于2024-11-06公开中

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