6H36
| The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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1ONO
| IspC Mn2+ complex | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | Deposit date: | 2003-02-28 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development. J.BIOL.CHEM., 278, 2003
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4JI9
| JAK2 kinase (JH1 domain) in complex with TG101209 | Descriptor: | N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2013-03-05 | Release date: | 2013-08-07 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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1PVI
| STRUCTURE OF PVUII ENDONUCLEASE WITH COGNATE DNA | Descriptor: | DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), PROTEIN (PVUII (E.C.3.1.21.4)) | Authors: | Cheng, X, Balendiran, K, Schildkraut, I, Anderson, J.E. | Deposit date: | 1994-11-16 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of PvuII endonuclease with cognate DNA. EMBO J., 13, 1994
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1LGD
| Crystal Structure Analysis of HCA II Mutant T199P in Complex with Bicarbonate | Descriptor: | BICARBONATE ION, Carbonic anhydrase II, ZINC ION | Authors: | Huang, S, Sjoblom, B, Sauer-Eriksson, A.E, Jonsson, B.-H. | Deposit date: | 2002-04-15 | Release date: | 2002-07-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Organization of an efficient carbonic anhydrase: implications for the mechanism based on structure-function studies of a T199P/C206S mutant. Biochemistry, 41, 2002
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1LGV
| Structure of a Human Bence-Jones Dimer Crystallized in U.S. Space Shuttle Mission STS-95: 100K | Descriptor: | IMMUNOGLOBULIN LAMBDA LIGHT CHAIN | Authors: | Terzyan, S.S, DeWitt, C.R, Ramsland, P.A, Bourne, P.C, Edmundson, A.B. | Deposit date: | 2002-04-16 | Release date: | 2003-07-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Comparison of the three-dimensional structures of a human Bence-Jones dimer
crystallized on Earth and aboard US Space Shuttle Mission STS-95 J.MOL.RECOG., 16, 2003
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4GA0
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4YA0
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6VFO
| Solution structure of the PHD of mouse UHRF1 (NP95) | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | Authors: | Lemak, A, Houliston, S, Duan, S, Arrowsmith, C.H. | Deposit date: | 2020-01-06 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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6VEE
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6VED
| Solution structure of the TTD and linker region of UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H. | Deposit date: | 2019-12-31 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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6ZPU
| Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2020-07-09 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics. Febs J., 288, 2021
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1LFI
| METAL SUBSTITUTION IN TRANSFERRINS: THE CRYSTAL STRUCTURE OF HUMAN COPPER-LACTOFERRIN AT 2.1 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COPPER (II) ION, ... | Authors: | Smith, C.A, Anderson, B.F, Baker, H.M, Baker, E.N. | Deposit date: | 1992-02-10 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Metal substitution in transferrins: the crystal structure of human copper-lactoferrin at 2.1-A resolution. Biochemistry, 31, 1992
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4AX4
| PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, H680A MUTANT | Descriptor: | GLYCEROL, PROLYL OLIGOPEPTIDASE | Authors: | Szeltner, Z, Juhasz, T, Szamosi, I, Rea, D, Fulop, V, Modos, K, Juliano, L, Polgar, L. | Deposit date: | 2012-06-08 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Loops Facing the Active Site of Prolyl Oligopeptidase are Crucial Components in Substrate Gating and Specificity. Biochim.Biophys.Acta, 1834, 2012
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1DLV
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1X3N
| Crystal structure of AMPPNP bound Propionate kinase (TdcD) from Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Propionate kinase | Authors: | Simanshu, D.K, Savithri, H.S, Murthy, M.R. | Deposit date: | 2005-05-10 | Release date: | 2005-09-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of ADP and AMPPNP-bound Propionate Kinase (TdcD) from Salmonella typhimurium: Comparison with Members of Acetate and Sugar Kinase/Heat Shock Cognate 70/Actin Superfamily. J.Mol.Biol., 352, 2005
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2RUH
| Chemical Shift Assignments for MIP and MDM2 in bound state | Descriptor: | E3 ubiquitin-protein ligase Mdm2 | Authors: | Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H. | Deposit date: | 2014-06-03 | Release date: | 2014-10-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display Plos One, 9, 2014
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1NKF
| CALCIUM-BINDING PEPTIDE, NMR, 30 STRUCTURES | Descriptor: | CALCIUM-BINDING HEXADECAPEPTIDE, LANTHANUM (III) ION | Authors: | Sticht, H, Ejchart, A. | Deposit date: | 1998-03-09 | Release date: | 1999-02-16 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Alpha-helix nucleation by a calcium-binding peptide loop. Proc.Natl.Acad.Sci.USA, 96, 1999
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6BNS
| STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | Deposit date: | 2017-11-17 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
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6BS2
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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6BR1
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-29 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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2Z93
| Crystal structure of Fab fragment of anti-ciguatoxin antibody 10C9 in complex with CTX3C-ABCD | Descriptor: | 1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL, Anti-ciguatoxin antibody 10C9 Fab heavy chain, Anti-ciguatoxin antibody 10C9 Fab light chain | Authors: | Ui, M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2007-09-14 | Release date: | 2008-05-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | How Protein Recognizes Ladder-like Polycyclic Ethers: INTERACTIONS BETWEEN CIGUATOXIN (CTX3C) FRAGMENTS AND ITS SPECIFIC ANTIBODY 10C9 J.Biol.Chem., 283, 2008
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6BRF
| Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-30 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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7SVL
| DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7TBA
| Pentraxin - ligand complex | Descriptor: | C-reactive protein, CALCIUM ION, [3-(dibutylamino)propyl]phosphonic acid | Authors: | Shing, K.S.C.T, Morton, C.J, Parker, M.W. | Deposit date: | 2021-12-21 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein. Embo Mol Med, 15, 2023
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