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7KDN
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BU of 7kdn by Molmil
Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
Descriptor: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Aspergillus fumigatus
to be published
5YV9
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BU of 5yv9 by Molmil
Structure of CaMKK2 in complex with CKI-009
Descriptor: 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
1NV0
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BU of 1nv0 by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and 1 mM Thallium
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-01
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
1NV3
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BU of 1nv3 by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (100 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-02
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
7KDS
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BU of 7kds by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
Descriptor: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase 2, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-10-09
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
To Be Published
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
Descriptor: COBALT (II) ION, Phosphohydrolase
Authors:Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
Deposit date:2008-04-30
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
1NV2
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BU of 1nv2 by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (20 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, HYDROGENPHOSPHATE ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-01
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
1NV6
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BU of 1nv6 by Molmil
Fructose-1,6-Bisphosphatase Complex With Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (20 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-Bisphosphatase, HYDROGENPHOSPHATE ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-02
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
1NUZ
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BU of 1nuz by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate and Phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-01
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
6C67
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BU of 6c67 by Molmil
Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ...
Authors:Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-17
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
5YVA
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BU of 5yva by Molmil
Structure of CaMKK2 in complex with CKI-010
Descriptor: 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
5YV8
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BU of 5yv8 by Molmil
Structure of CaMKK2 in complex with CKI-002
Descriptor: 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
5YVC
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BU of 5yvc by Molmil
Structure of CaMKK2 in complex with CKI-012
Descriptor: 3-{2,4-dimethyl-5-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020
7KVY
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BU of 7kvy by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-29
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
to be published
7KNO
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BU of 7kno by Molmil
Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-05
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
to be published
7KNP
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BU of 7knp by Molmil
Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-05
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
To Be Published
7L3P
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BU of 7l3p by Molmil
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-12-18
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-methylphosphate from Coccidioides immitis RS
to be published
1NV1
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BU of 1nv1 by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (5 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-01
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
3FV8
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BU of 3fv8 by Molmil
JNK3 bound to piperazine amide inhibitor, SR2774.
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Habel, J.E.
Deposit date:2009-01-15
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
1NV5
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BU of 1nv5 by Molmil
Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (5 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-02
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
1MP2
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BU of 1mp2 by Molmil
Structure of MT-ADPRase (Apoenzyme), a Nudix hydrolase from Mycobacterium tuberculosis
Descriptor: ADPR pyrophosphatase
Authors:Kang, L.-W, Gabelli, S.B, Bianchet, M.A, Cunningham, J.E, O'Handley, S.F, Amzel, L.M.
Deposit date:2002-09-11
Release date:2003-08-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and mechanism of MT-ADPRase, a Nudix hydrolase from Mycobacterium tuberculosis
Structure, 11, 2003
8PBV
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BU of 8pbv by Molmil
Solution NMR structure of D. melanogaster TotA
Descriptor: Protein Turandot A
Authors:Abriata, L.A.
Deposit date:2023-06-09
Release date:2024-04-17
Method:SOLUTION NMR
Cite:A humoral stress response protects Drosophila tissues from antimicrobial peptides.
Curr.Biol., 34, 2024
1G2P
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BU of 1g2p by Molmil
CRYSTAL STRUCTURE OF ADENINE PHOSPHORIBOSYLTRANSFERASE
Descriptor: ADENINE PHOSPHORIBOSYLTRANSFERASE 1, SULFATE ION
Authors:Shi, W, Tanaka, K.S.E, Almo, S.C, Schramm, V.L.
Deposit date:2000-10-20
Release date:2001-12-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of adenine phosphoribosyltransferase from Saccharomyces cerevisiae.
Biochemistry, 40, 2001
2BYT
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BU of 2byt by Molmil
Thermus thermophilus Leucyl-tRNA synthetase complexed with a tRNAleu transcript in the post-editing conformation
Descriptor: LEUCINE, LEUCYL-TRNA SYNTHETASE, MERCURY (II) ION, ...
Authors:Cusack, S, Tukalo, M, Yaremchuk, A, Fukunaga, R, Yokoyama, S.
Deposit date:2005-08-04
Release date:2005-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The Crystal Structure of Leucyl-tRNA Synthetase Complexed with tRNA(Leu) in the Post-Transfer-Editing Conformation.
Nat.Struct.Mol.Biol., 12, 2005
1RWP
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BU of 1rwp by Molmil
Crystal structure of human caspase-1 in complex with 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid
Descriptor: 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005

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