3O96
 
 | | Crystal Structure of Human AKT1 with an Allosteric Inhibitor | | Descriptor: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase | | Authors: | Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-08-03 | | Release date: | 2010-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
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7BCZ
 | | Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa | | Descriptor: | 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ... | | Authors: | Carivenc, C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2020-12-21 | | Release date: | 2021-11-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
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1DJ2
 | | STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | | Deposit date: | 1999-12-01 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
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1DJ3
 | | STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | | Deposit date: | 1999-12-01 | | Release date: | 2000-03-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana.
J.Mol.Biol., 296, 2000
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6OFC
 | | Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine | | Descriptor: | 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine, CHLORIDE ION, GLUTAMINE, ... | | Authors: | Chuenchor, W, Doukov, T.I, Gerratana, B. | | Deposit date: | 2019-03-28 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Different ways to transport ammonia in human and Mycobacterium tuberculosis NAD+synthetases.
Nat Commun, 11, 2020
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1E19
 | | Structure of the carbamate kinase-like carbamoyl phosphate synthetase from the hyperthermophilic archaeon Pyrococcus furiosus bound to ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMATE KINASE, MAGNESIUM ION | | Authors: | Ramon-Maiques, S, Marina, A, Uriarte, M, Fita, I, Rubio, V. | | Deposit date: | 2000-04-28 | | Release date: | 2000-07-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1.5-A Resolution Crystal Structure of the Carbamate Kinase-Like Carbamoyl Phosphate Synthetase from the Hyperthermophilic Archaeon Pyrococcus Furiosus, Bound to Adp, Confirms that This Thermoestable Enzyme is a Carbamate Kinase, and Provides Insights Into Substrate Binding and Stability in Carbamate Kinases
J.Mol.Biol., 299, 2000
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1G4Y
 | | 1.60 A CRYSTAL STRUCTURE OF THE GATING DOMAIN FROM SMALL CONDUCTANCE POTASSIUM CHANNEL COMPLEXED WITH CALCIUM-CALMODULIN | | Descriptor: | CALCIUM ION, CALCIUM-ACTIVATED POTASSIUM CHANNEL RSK2, CALMODULIN, ... | | Authors: | Schumacher, M.A, Rivard, A, Bachinger, H.P, Adelman, J.P. | | Deposit date: | 2001-01-07 | | Release date: | 2001-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of the gating domain of a Ca2+-activated K+ channel complexed with Ca2+/calmodulin.
Nature, 410, 2001
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1OQM
 | | A 1:1 complex between alpha-lactalbumin and beta1,4-galactosyltransferase in the presence of UDP-N-acetyl-galactosamine | | Descriptor: | Alpha-lactalbumin, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Ramakrishnan, B, Qasba, P.K. | | Deposit date: | 2003-03-10 | | Release date: | 2003-03-18 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-based design of beta 1,4-galactosyltransferase I (beta 4Gal-T1) with equally efficient
N-acetylgalactosaminyltransferase activity: point mutation broadens beta 4Gal-T1 donor specificity.
J.Biol.Chem., 277, 2002
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7ONR
 | | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | | Descriptor: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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1S64
 | | Rat protein geranylgeranyltransferase type-I complexed with L-778,123 and a sulfate anion | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE, CHLORIDE ION, ... | | Authors: | Reid, T.S, Long, S.B, Beese, L.S. | | Deposit date: | 2004-01-22 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystallographic Analysis Reveals that Anticancer Clinical Candidate L-778,123 Inhibits Protein Farnesyltransferase and Geranylgeranyltransferase-I by Different Binding Modes.
Biochemistry, 43, 2004
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2IDE
 | | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 | | Descriptor: | Molybdenum cofactor biosynthesis protein C, PHOSPHATE ION | | Authors: | Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-15 | | Release date: | 2007-09-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8
To be Published
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1GSZ
 | | Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE, [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE | | Authors: | Lenhart, A, Weihofen, W.A, Pleschke, A.E.W, Schulz, G.E. | | Deposit date: | 2002-01-09 | | Release date: | 2003-01-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of a Squalene Cyclase in Complex with the Potential Anticholesteremic Drug Ro48-8071
Chem.Biol., 9, 2002
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6O75
 | | Crystal structure of Csm1-Csm4 cassette in complex with pppApA | | Descriptor: | CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm4, MANGANESE (II) ION, ... | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
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6O7B
 | | Crystal structure of Csm1-Csm4 cassette in complex with cA4 | | Descriptor: | CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm4, Cyclic RNA cA4 | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
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6O78
 | | Crystal structure of Csm1-Csm4 cassette in complex with pppApApA | | Descriptor: | CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm4, MANGANESE (II) ION, ... | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
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6O7D
 | | Crystal structure of Csm1-Csm4 cassette in complex with one ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm4, ... | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
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6O79
 | | Crystal structure of Csm1-Csm4 cassette in complex with cA3 | | Descriptor: | CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), Csm4, cyclic RNA cA3 | | Authors: | Jia, N, Patel, D.J. | | Deposit date: | 2019-03-07 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path.
Mol.Cell, 75, 2019
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3NAG
 | | Crystal structure of the phosphoribosylpyrophosphate (PRPP) synthetase from Thermoplasma Volcanium in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribose-phosphate pyrophosphokinase, ... | | Authors: | Cherney, M.M, Cherney, L.T, Garen, C.R, James, M.N.G. | | Deposit date: | 2010-06-02 | | Release date: | 2011-06-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The structures of Thermoplasma volcanium phosphoribosyl pyrophosphate synthetase bound to ribose-5-phosphate and ATP analogs.
J.Mol.Biol., 413, 2011
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6NL5
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6NKB
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3ECR
 | | Structure of human porphobilinogen deaminase | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase | | Authors: | Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J. | | Deposit date: | 2008-09-01 | | Release date: | 2008-09-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Structural insight into acute intermittent porphyria.
Faseb J., 23, 2009
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7XIF
 | | Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) alone or together with spermidine or thermospermine | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE, Polyamine aminopropyltransferase, ... | | Authors: | Mizohata, E, Yasuda, Y. | | Deposit date: | 2022-04-13 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
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6NWG
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6NWN
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 | | Descriptor: | 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC ACID | | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | Deposit date: | 2019-02-06 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10
To Be Published
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3EQ1
 | | The Crystal Structure of Human Porphobilinogen Deaminase at 2.8A resolution | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase, SULFATE ION | | Authors: | Kolstoe, S.E, Gill, R, Mohammed, F, Wood, S.P. | | Deposit date: | 2008-09-30 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human porphobilinogen deaminase at 2.8 A: the molecular basis of acute intermittent porphyria
Biochem.J., 420, 2009
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