3X09
| Crystal structure of PIP4KIIBETA F205L complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3WYE
| Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+ | Descriptor: | Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Shimegi, T, Oyama, T, Kusunoki, M, Ui, S. | Deposit date: | 2014-08-26 | Release date: | 2015-08-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+ To be Published
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5FVU
| Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.224 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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5FMT
| CrIFT54 CH-domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FLAGELLAR ASSOCIATED PROTEIN, GLYCEROL, ... | Authors: | Weber, K, Lorentzen, E. | Deposit date: | 2015-11-09 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex. Embo J., 35, 2016
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1XAN
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5FPB
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1XRB
| S-adenosylmethionine synthetase (MAT, ATP: L-methionine S-adenosyltransferase, E.C.2.5.1.6) in which MET residues are replaced with selenomethionine residues (MSE) | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Takusagawa, F, Kamitori, S, Misaki, S, Markham, G.D. | Deposit date: | 1995-10-26 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of S-adenosylmethionine synthetase. J.Biol.Chem., 271, 1996
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5FVV
| Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine | Descriptor: | 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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1XTC
| CHOLERA TOXIN | Descriptor: | CHOLERA TOXIN | Authors: | Zhang, R.-G, Westbrook, E. | Deposit date: | 1996-01-10 | Release date: | 1996-08-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional crystal structure of cholera toxin. J.Mol.Biol., 251, 1995
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5CLP
| Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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1XGA
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1Y1N
| Identification of SH3 motif in M. Tuberculosis methionine aminopeptidase suggests a mode of interaction with the ribosome | Descriptor: | Methionine aminopeptidase 1B, POTASSIUM ION | Authors: | Addlagatta, A, Quillin, M.L, Omotoso, O, Liu, J.O, Matthews, B.W. | Deposit date: | 2004-11-18 | Release date: | 2005-05-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Identification of an SH3-Binding Motif in a New Class of Methionine Aminopeptidases from Mycobacterium tuberculosis Suggests a Mode of Interaction with the Ribosome Biochemistry, 44, 2005
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3X04
| Crystal structure of PIP4KIIBETA complex with GMPPNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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5T26
| Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. | Descriptor: | 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P. | Deposit date: | 2016-08-23 | Release date: | 2016-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. To Be Published
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5G1F
| Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with coenzyme A | Descriptor: | 6-CARBOXYHEXANOATE-COA LIGASE, COENZYME A, NONAETHYLENE GLYCOL, ... | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | Deposit date: | 2016-03-25 | Release date: | 2017-03-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structure of the 6-Carboxyhexanoate-Coa Ligase from Bacillus Subtilis To be Published
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5CNT
| Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to UDP and dATP at 3.25 Angstroms resolution | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, MU-OXO-DIIRON, ... | Authors: | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | Deposit date: | 2015-07-18 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli. Elife, 5, 2016
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5G38
| PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 6 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-24 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
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5T4F
| Human DPP4 in complex with ligand 34p | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-({2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-4-oxo-3,4-dihydro-5H-imidazo[2,1-b]purin-5-yl}methyl)benzonitrile, ... | Authors: | Scapin, G. | Deposit date: | 2016-08-29 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg.Med.Chem., 24, 2016
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1Y14
| Crystal structure of yeast subcomplex of Rpb4 and Rpb7 | Descriptor: | DNA-directed RNA polymerase II 19 kDa polypeptide, DNA-directed RNA polymerase II 32 kDa polypeptide | Authors: | Armache, K.-J, Mitterweger, S, Meinhart, A, Cramer, P. | Deposit date: | 2004-11-17 | Release date: | 2004-12-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Complete RNA Polymerase II and Its Subcomplex, Rpb4/7 J.Biol.Chem., 280, 2005
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5T65
| LIGAND BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA PAO1 AMINO ACID CHEMORECEPTOR PCTA IN COMPLEX WITH L-ILE | Descriptor: | ACETATE ION, ISOLEUCINE, Methyl-accepting chemotaxis protein PctA, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-01 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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2AVS
| kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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5G53
| Structure of the adenosine A2A receptor bound to an engineered G protein | Descriptor: | ADENOSINE RECEPTOR A2A, ENGINEERED DOMAIN OF HUMAN G ALPHA S LONG ISOFORM, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Carpenter, B, Nehme, R, Warne, T, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2016-05-19 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of the Adenosine A2A Receptor Bound to an Engineered G Protein Nature, 536, 2016
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5VAN
| Crystal Structure of Beta-Klotho | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC 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: | Lee, S, Schlessinger, J. | Deposit date: | 2017-03-27 | Release date: | 2018-01-31 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling. Nature, 553, 2018
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5G6J
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5UTU
| 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-15 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD To Be Published
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