4WMS
| STRUCTURE OF APO MBP-MCL1 AT 1.9A | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Dranow, D.M. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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2HZ1
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6O7M
| Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the indigo carmine oxidized state | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Rutledge, H.L, Williamson, L.M, Tezcan, F.A. | Deposit date: | 2019-03-08 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Redox-Dependent Metastability of the Nitrogenase P-Cluster. J.Am.Chem.Soc., 141, 2019
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6O7O
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2HZ2
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6O7L
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2HZ3
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1ODC
| STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-02-15 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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4RRF
| Editing domain of threonyl-tRNA synthetase from Methanococcus jannaschii with L-Ser3AA | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SERINE-3'-AMINOADENOSINE, ... | Authors: | Ahmad, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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4RRA
| N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA (snapshot 1) | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, MAGNESIUM ION, Probable threonine--tRNA ligase 2 | Authors: | Ahmad, S, Muthukumar, S, Yerabham, A.S.K, Kamarthapu, V, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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4RRJ
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6DGJ
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4RRM
| E129A mutant of N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix with L-Thr3AA | Descriptor: | 3'-deoxy-3'-(L-threonylamino)adenosine, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ahmad, S, Muthukumar, S, Sankaranarayanan, R. | Deposit date: | 2014-11-06 | Release date: | 2015-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Specificity and catalysis hardwired at the RNA-protein interface in a translational proofreading enzyme. Nat Commun, 6, 2015
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4Z34
| Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ... | Authors: | Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR) | Deposit date: | 2015-03-30 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1. Cell, 161, 2015
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4KAK
| Crystal structure of human dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3S)-3-[3-methoxy-5-(pyridine-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1006) | Descriptor: | 6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, CALCIUM ION, Dihydrofolate reductase, ... | Authors: | Lamb, K.M, Anderson, A.C. | Deposit date: | 2013-04-22 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase. Biochemistry, 52, 2013
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4ERE
| crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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1AF0
| SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-hydroxy-L-alaninamide, SERRATIA PROTEASE, ... | Authors: | Baumann, U. | Deposit date: | 1997-03-20 | Release date: | 1998-03-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh To be Published
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4KBN
| human dihydrofolate reductase complexed with NADPH and 5-{3-[3-(3,5-pyrimidine)]-phenyl-prop-1-yn-1-yl}-6-ethyl-pyrimidine-2,4diamine | Descriptor: | 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, AMMONIUM ION, CHLORIDE ION, ... | Authors: | Lamb, K.M, Anderson, A.C. | Deposit date: | 2013-04-23 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Elucidating features that drive the design of selective antifolates using crystal structures of human dihydrofolate reductase. Biochemistry, 52, 2013
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6MB8
| Apo structure of AAC-IIIb | Descriptor: | Aac(3)-IIIb protein, CHLORIDE ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2018-08-29 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase. J. Med. Chem., 61, 2018
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5IE2
| Crystal structure of a plant enzyme | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Fan, M.R, Li, M, Chang, W.R. | Deposit date: | 2016-02-24 | Release date: | 2016-12-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation Mol Plant, 9, 2016
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1UU4
| X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH CELLOBIOSE | Descriptor: | ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | Deposit date: | 2003-12-15 | Release date: | 2004-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A J.Mol.Biol., 342, 2004
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6EQU
| X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | Descriptor: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2017-10-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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2GNV
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7B7I
| BAZ2A bromodomain in complex with triazole compound MS04-TN02 | Descriptor: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-10 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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1HQP
| CRYSTAL STRUCTURE OF A TRUNCATED FORM OF PORCINE ODORANT-BINDING PROTEIN | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, ODORANT-BINDING PROTEIN | Authors: | Perduca, M, Mancia, F, Del Giorgio, R, Monaco, H.L. | Deposit date: | 2000-12-19 | Release date: | 2001-01-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a truncated form of porcine odorant-binding protein. Proteins, 42, 2001
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