1AEO
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![BU of 1aeo by Molmil](/molmil-images/mine/1aeo) | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINOPYRIDINE) | Descriptor: | 2-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein. J.Mol.Biol., 315, 2002
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4UDS
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![BU of 4uds by Molmil](/molmil-images/mine/4uds) | Crystal structure of MbdR regulator from Azoarcus sp. CIB | Descriptor: | MBDR REGULATOR | Authors: | Liu, H, Liu, H.X, MacMahon, S.A, Juarez, J.F, Zamarro, M.T, Eberlein, C, Boll, M, Carmona, M, Diaz, E, Naismith, J.H. | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Unraveling the Specific Regulation of the Mbd Central Pathway for the Anaerobic Degradation of 3-Methylbenzoate. J.Biol.Chem., 290, 2015
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6MW4
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![BU of 6mw4 by Molmil](/molmil-images/mine/6mw4) | |
1AI8
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![BU of 1ai8 by Molmil](/molmil-images/mine/1ai8) | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ... | Authors: | Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J. | Deposit date: | 1997-05-01 | Release date: | 1997-10-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships. Protein Sci., 1, 1992
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6N3S
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![BU of 6n3s by Molmil](/molmil-images/mine/6n3s) | Crystal structure of apo-cruzain | Descriptor: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | Authors: | Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H. | Deposit date: | 2018-11-16 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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1AFX
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![BU of 1afx by Molmil](/molmil-images/mine/1afx) | |
6OYV
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![BU of 6oyv by Molmil](/molmil-images/mine/6oyv) | |
4UFB
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![BU of 4ufb by Molmil](/molmil-images/mine/4ufb) | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2015-03-16 | Release date: | 2015-10-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme Sci.Rep., 5, 2015
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1AND
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![BU of 1and by Molmil](/molmil-images/mine/1and) | |
4UFA
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![BU of 4ufa by Molmil](/molmil-images/mine/4ufa) | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2015-03-16 | Release date: | 2015-10-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme Sci.Rep., 5, 2015
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1A9O
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![BU of 1a9o by Molmil](/molmil-images/mine/1a9o) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE | Descriptor: | PHOSPHATE ION, PURINE NUCLEOSIDE PHOSPHORYLASE | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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1A3F
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![BU of 1a3f by Molmil](/molmil-images/mine/1a3f) | PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM | Descriptor: | PHOSPHOLIPASE A2 | Authors: | Segelke, B.W, Nguyen, D, Chee, R, Xuong, H.N, Dennis, E.A. | Deposit date: | 1998-01-21 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing. J.Mol.Biol., 279, 1998
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6MQ4
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![BU of 6mq4 by Molmil](/molmil-images/mine/6mq4) | GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2018-10-09 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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1A9S
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![BU of 1a9s by Molmil](/molmil-images/mine/1a9s) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH INOSINE AND SULFATE | Descriptor: | INOSINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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16PK
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![BU of 16pk by Molmil](/molmil-images/mine/16pk) | PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI BISUBSTRATE ANALOG | Descriptor: | 1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER, 3-PHOSPHOGLYCERATE KINASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | Authors: | Bernstein, B.E, Bressi, J, Blackburn, M, Gelb, M, Hol, W.G.J. | Deposit date: | 1998-05-18 | Release date: | 1998-11-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A bisubstrate analog induces unexpected conformational changes in phosphoglycerate kinase from Trypanosoma brucei. J.Mol.Biol., 279, 1998
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4UI2
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![BU of 4ui2 by Molmil](/molmil-images/mine/4ui2) | Crystal structure of the ternary RGMB-BMP2-NEO1 complex | Descriptor: | ACETATE ION, BONE MORPHOGENETIC PROTEIN 2, BMP2, ... | Authors: | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
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6PPN
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![BU of 6ppn by Molmil](/molmil-images/mine/6ppn) | Structure of S. pombe Lsm2-8 with unprocessed U6 snRNA | Descriptor: | Mimic of unprocessed U6 snRNA, Probable U6 snRNA-associated Sm-like protein LSm3, Probable U6 snRNA-associated Sm-like protein LSm4, ... | Authors: | Montemayor, E.J, Butcher, S.E. | Deposit date: | 2019-07-08 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Molecular basis for the distinct cellular functions of the Lsm1-7 and Lsm2-8 complexes. Rna, 26, 2020
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1A9Q
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![BU of 1a9q by Molmil](/molmil-images/mine/1a9q) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH INOSINE | Descriptor: | HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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1A9R
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![BU of 1a9r by Molmil](/molmil-images/mine/1a9r) | BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE | Descriptor: | HYPOXANTHINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION | Authors: | Mao, C, Cook, W.J, Zhou, M, Fedorov, A.A, Almo, S.C, Ealick, S.E. | Deposit date: | 1998-04-10 | Release date: | 1998-07-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues. Biochemistry, 37, 1998
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1AME
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![BU of 1ame by Molmil](/molmil-images/mine/1ame) | |
4UFZ
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![BU of 4ufz by Molmil](/molmil-images/mine/4ufz) | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | Authors: | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | Deposit date: | 2015-03-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development. Bioorg.Med.Chem.Lett., 25, 2015
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1AN8
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![BU of 1an8 by Molmil](/molmil-images/mine/1an8) | CRYSTAL STRUCTURE OF THE STREPTOCOCCAL SUPERANTIGEN SPE-C | Descriptor: | STREPTOCOCCAL PYROGENIC EXOTOXIN C | Authors: | Roussel, A, Baker, E.N. | Deposit date: | 1997-06-27 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the streptococcal superantigen SPE-C: dimerization and zinc binding suggest a novel mode of interaction with MHC class II molecules. Nat.Struct.Biol., 4, 1997
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6P58
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![BU of 6p58 by Molmil](/molmil-images/mine/6p58) | Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ... | Authors: | Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N. | Deposit date: | 2019-05-29 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UXN
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![BU of 6uxn by Molmil](/molmil-images/mine/6uxn) | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | Descriptor: | Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ... | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-11-07 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | BAK core dimers bind lipids and can be bridged by them. Nat.Struct.Mol.Biol., 27, 2020
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1ANT
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![BU of 1ant by Molmil](/molmil-images/mine/1ant) | |