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8CRG
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BU of 8crg by Molmil
E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
Authors:Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E.
Deposit date:2023-03-08
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase.
Biochemistry, 62, 2023
7PSL
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BU of 7psl by Molmil
S. cerevisiae Atm1 in MSP1D1 nanodiscs in nucleotide-free state
Descriptor: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, Iron-sulfur clusters transporter ATM1, mitochondrial, ...
Authors:Ellinghaus, T.L, Kuehlbrandt, W.
Deposit date:2021-09-23
Release date:2021-12-29
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational changes in the yeast mitochondrial ABC transporter Atm1 during the transport cycle.
Sci Adv, 7, 2021
1Q19
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BU of 1q19 by Molmil
Carbapenam Synthetase
Descriptor: (2S,5S)-5-CARBOXYMETHYLPROLINE, CarA, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2003-07-18
Release date:2003-11-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
1Q3Q
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BU of 1q3q by Molmil
Crystal structure of the chaperonin from Thermococcus strain KS-1 (two-point mutant complexed with AMP-PNP)
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Thermosome alpha subunit
Authors:Shomura, Y, Yoshida, T, Iizuka, R, Maruyama, T, Yohda, M, Miki, K.
Deposit date:2003-07-31
Release date:2004-01-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the Group II Chaperonin from Thermococcus strain KS-1: Steric Hindrance by the Substituted Amino Acid, and Inter-subunit Rearrangement between Two Crystal Forms.
J.Mol.Biol., 335, 2004
3DD7
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BU of 3dd7 by Molmil
Structure of DocH66Y in complex with the C-terminal domain of Phd
Descriptor: BROMIDE ION, Death on curing protein, Prevent host death protein
Authors:Garcia-Pino, A, Loris, R.
Deposit date:2008-06-05
Release date:2008-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Doc of Prophage P1 Is Inhibited by Its Antitoxin Partner Phd through Fold Complementation
J.Biol.Chem., 283, 2008
6MY3
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BU of 6my3 by Molmil
Solution structure of gomesin at 310K
Descriptor: gomesin
Authors:Chin, Y.K.-Y, Deplazes, E.
Deposit date:2018-11-01
Release date:2019-11-06
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:The unusual conformation of cross-strand disulfide bonds is critical to the stability of beta-hairpin peptides.
Proteins, 88, 2020
3ROJ
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BU of 3roj by Molmil
D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase of Synechocystis sp. PCC 6803
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, D-fructose 1,6-bisphosphatase class 2/sedoheptulose 1,7-bisphosphatase, ...
Authors:Hu, X, Hui, D, Lingling, F, Jian, W.
Deposit date:2011-04-26
Release date:2012-05-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New insights into the structural and interactional basis for a promising route towards fructose-1,6-/sedoheptulose-1,7-bisphosphatases controlling
To be Published
5U7X
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BU of 5u7x by Molmil
Crystal structure of a nucleoside triphosphate diphosphohydrolase (NTPDase) from the legume Vigna unguiculata subsp. cylindrica (Dolichos biflorus) in complex with phosphate and manganese
Descriptor: MANGANESE (II) ION, Nod factor binding lectin-nucleotide phosphohydrolase, PHOSPHATE ION
Authors:Cumming, M.H, Summers, E.L, Oulavallickal, T, Roberts, N, Arcus, V.L.
Deposit date:2016-12-12
Release date:2017-05-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures and kinetics for plant nucleoside triphosphate diphosphohydrolases support a domain motion catalytic mechanism.
Protein Sci., 26, 2017
3EH9
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BU of 3eh9 by Molmil
Crystal structure of death associated protein kinase complexed with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, SULFATE ION
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-09-11
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3BWF
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BU of 3bwf by Molmil
Crystal structure of the human Pim1 in complex with an osmium compound
Descriptor: PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
Authors:Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E.
Deposit date:2008-01-09
Release date:2008-06-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Similar biological activities of two isostructural ruthenium and osmium complexes.
Chemistry, 14, 2008
6EQ9
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BU of 6eq9 by Molmil
Crystal structure of JNK3 in complex with AMP-PCP
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Macedo, J.T, Stehle, T, Blaum, B.S.
Deposit date:2017-10-12
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Optimization of a Pyridinylimidazole Scaffold: Shifting the Selectivity from p38 alpha Mitogen-Activated Protein Kinase to c-Jun N-Terminal Kinase 3.
ACS Omega, 3, 2018
3GPB
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BU of 3gpb by Molmil
COMPARISON OF THE BINDING OF GLUCOSE AND GLUCOSE-1-PHOSPHATE DERIVATIVES TO T-STATE GLYCOGEN PHOSPHORYLASE B
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE
Authors:Martin, J.L, Johnson, L.N.
Deposit date:1990-06-04
Release date:1992-10-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of the binding of glucose and glucose 1-phosphate derivatives to T-state glycogen phosphorylase b.
Biochemistry, 29, 1990
3Q10
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BU of 3q10 by Molmil
Pantoate-beta-alanine ligase from Yersinia pestis
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Osipiuk, J, Maltseva, N, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-12-16
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Pantoate-beta-alanine ligase from Yersinia pestis.
To be Published
1JGT
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BU of 1jgt by Molmil
CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE
Descriptor: BETA-LACTAM SYNTHETASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, ...
Authors:Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C.
Deposit date:2001-06-26
Release date:2001-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of beta-lactam synthetase reveals how to synthesize antibiotics instead of asparagine.
Nat.Struct.Biol., 8, 2001
3W2W
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BU of 3w2w by Molmil
Crystal structure of the Cmr2dHD-Cmr3 subcomplex bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cmr subunit Cmr2, CRISPR system Cmr subunit Cmr3, ...
Authors:Numata, T, Osawa, T.
Deposit date:2012-12-06
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Cmr2-Cmr3 Subcomplex in the CRISPR-Cas RNA Silencing Effector Complex.
J.Mol.Biol., 425, 2013
3KXH
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BU of 3kxh by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)
Descriptor: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
6ORU
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BU of 6oru by Molmil
Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP
Descriptor: Bifunctional ligase/repressor BirA, N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:Wilce, M.C.J, Cini, D.
Deposit date:2019-05-01
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:Enhancing the stability of the sulfonamide linker of BPL inhibitors
To Be Published
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Descriptor: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
4XJ7
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BU of 4xj7 by Molmil
Crystal Structure of E112A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium soaked with AMP
Descriptor: 5'/3'-nucleotidase SurE, ADENINE, ADENOSINE, ...
Authors:Mathiharan, Y.K, Murthy, M.R.N.
Deposit date:2015-01-08
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
Acta Crystallogr.,Sect.D, 71, 2015
6O83
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BU of 6o83 by Molmil
S. pombe ubiquitin E1~ubiquitin-AMP tetrahedral intermediate mimic
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine, ...
Authors:Hann, Z.S, Lima, C.D.
Deposit date:2019-03-08
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Structural basis for adenylation and thioester bond formation in the ubiquitin E1.
Proc.Natl.Acad.Sci.USA, 116, 2019
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
6P7P
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BU of 6p7p by Molmil
Structure of E. coli MS115-1 NucC, cAAA-bound form
Descriptor: CHLORIDE ION, Cyclic tri-AMP (5'-3' linked), E. coli MS115-1 NucC 2-241
Authors:Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D.
Deposit date:2019-06-06
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
4OKJ
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BU of 4okj by Molmil
Crystal structure of RNase AS from M tuberculosis
Descriptor: 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION
Authors:Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R.
Deposit date:2014-01-22
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Structure, 22, 2014
4OKK
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BU of 4okk by Molmil
Crystal structure of RNase AS from M tuberculosis in complex with UMP
Descriptor: 3'-5' exoribonuclease Rv2179c/MT2234.1, MAGNESIUM ION, URIDINE-5'-MONOPHOSPHATE
Authors:Romano, M, van de Weerd, R, Brouwer, F.C.C, Roviello, G.N, Lacroix, R, Sparrius, M, van den Brink-van Stempvoort, G, Maaskant, J.J, van der Sar, A.M, Appelmelk, B.J, Geurtsen, J.J, Berisio, R.
Deposit date:2014-01-22
Release date:2014-05-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Structure, 22, 2014
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published

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