3G8D
 
 | | Crystal structure of the biotin carboxylase subunit, E296A mutant, of acetyl-COA carboxylase from Escherichia coli | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, MAGNESIUM ION, ... | | Authors: | Chou, C.Y, Yu, L.P, Tong, L. | | Deposit date: | 2009-02-12 | | Release date: | 2009-03-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of biotin carboxylase in complex with substrates and implications for its catalytic mechanism.
J.Biol.Chem., 284, 2009
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1DDX
 | | CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID, ... | | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | | Deposit date: | 1999-11-11 | | Release date: | 2000-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction.
Nature, 405, 2000
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8CIE
 | | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | | Descriptor: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | | Authors: | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
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6HK3
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C44 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6HK7
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C50 | | Descriptor: | 3-azanyl-~{N}-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
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6FWB
 | | Crystal structure of Mat2A at 1.79 Angstron resolution | | Descriptor: | GLYCEROL, S-adenosylmethionine synthase isoform type-2, SODIUM ION, ... | | Authors: | Zhou, A, Wei, Z, Bai, J, Wang, H. | | Deposit date: | 2018-03-06 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification of a natural inhibitor of methionine adenosyltransferase 2A regulating one-carbon metabolism in keratinocytes.
Ebiomedicine, 39, 2019
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6G6R
 | | Human Methionine Adenosyltransferase II with SAMe and PPNP | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2018-04-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
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4U03
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1BS1
 | | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP , INORGANIC PHOSPHATE AND MAGNESIUM | | Descriptor: | 8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | | Deposit date: | 1998-08-31 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
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5IKQ
 | | The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 | | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... | | Authors: | Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
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5IKV
 | | The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2 | | Descriptor: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | | Authors: | Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.508 Å) | | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
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1DAM
 | | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH DETHIOBIOTIN, ADP, INORGANIC PHOSPHATE AND MAGNESIUM | | Descriptor: | 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kaeck, H, Sandmark, J, Gibson, K.J, Schneider, G, Lindqvist, Y. | | Deposit date: | 1998-08-31 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of two quaternary complexes of dethiobiotin synthetase, enzyme-MgADP-AlF3-diaminopelargonic acid and enzyme-MgADP-dethiobiotin-phosphate; implications for catalysis.
Protein Sci., 7, 1998
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5IKT
 | | The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 | | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
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7B6F
 | | GSK3-beta in complex with compound (S)-5c | | Descriptor: | 1,2-ETHANEDIOL, 3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile, Glycogen synthase kinase-3 beta, ... | | Authors: | Tesch, R, Andreev, S, Koch, P, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GSK3-beta in complex with compound (S)-5c
To be published
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5IKR
 | | The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 | | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... | | Authors: | Orlando, B.J, Malkowski, M.G. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.342 Å) | | Cite: | Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.
J.Biol.Chem., 291, 2016
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8J07
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3DLA
 | | X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON | | Descriptor: | 5-OXO-L-NORLEUCINE, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ... | | Authors: | LaRonde-LeBlanc, N.A, Resto, M, Gerratana, B. | | Deposit date: | 2008-06-26 | | Release date: | 2009-03-10 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Regulation of active site coupling in glutamine-dependent NAD(+) synthetase.
Nat.Struct.Mol.Biol., 16, 2009
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2DFS
 | | 3-D structure of Myosin-V inhibited state | | Descriptor: | Calmodulin, Myosin-5A | | Authors: | Liu, J, Taylor, D.W, Krementsova, E.B, Trybus, K.M, Taylor, K.A. | | Deposit date: | 2006-03-03 | | Release date: | 2006-04-25 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (24 Å) | | Cite: | Three-dimensional structure of the myosin V inhibited state by cryoelectron tomography
Nature, 442, 2006
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3ENH
 | | Crystal structure of Cgi121/Bud32/Kae1 complex | | Descriptor: | HEXATANTALUM DODECABROMIDE, Putative O-sialoglycoprotein endopeptidase, Uncharacterized protein MJ0187 | | Authors: | Neculai, D. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine
Mol.Cell, 32, 2008
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2QMO
 | | Crystal structure of dethiobiotin synthetase (bioD) from Helicobacter pylori | | Descriptor: | CHLORIDE ION, Dethiobiotin synthetase | | Authors: | Chruszcz, M, Xu, X, Cuff, M, Cymborowski, M, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-07-16 | | Release date: | 2007-07-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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7Z38
 | | Structure of the RAF1-HSP90-CDC37 complex (RHC-I) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | | Deposit date: | 2022-03-01 | | Release date: | 2022-09-14 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation.
Mol.Cell, 82, 2022
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7Z37
 | | Structure of the RAF1-HSP90-CDC37 complex (RHC-II) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | | Deposit date: | 2022-03-01 | | Release date: | 2022-09-14 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation.
Mol.Cell, 82, 2022
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1NBE
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6NOY
 | | Structure of Cyanothece McdB | | Descriptor: | Maintenance of carboxysome positioning B protein, Mcsb | | Authors: | Schumacher, M.A. | | Deposit date: | 2019-01-16 | | Release date: | 2019-04-24 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Nucleic Acids Res., 47, 2019
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6NT9
 | | Cryo-EM structure of the complex between human TBK1 and chicken STING | | Descriptor: | Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein | | Authors: | Shang, G, Zhang, C, Chen, Z.J, Bai, X, Zhang, X. | | Deposit date: | 2019-01-28 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of STING binding with and phosphorylation by TBK1.
Nature, 567, 2019
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