4B1B
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![BU of 4b1b by Molmil](/molmil-images/mine/4b1b) | Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, THIOREDOXIN REDUCTASE | Authors: | Boumis, G, Giardina, G, Dimastrogiovanni, D, Angelucci, F, Saccoccia, F, Brunori, M, Bellelli, A, Miele, A.E. | Deposit date: | 2012-07-09 | Release date: | 2012-08-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Plasmodium Falciparum Thioredoxin Reductase, a Validated Drug Target. Biochem.Biophys.Res.Commun., 425, 2012
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4ASE
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![BU of 4ase by Molmil](/molmil-images/mine/4ase) | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951) | Descriptor: | TIVOZANIB, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | Authors: | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | Deposit date: | 2012-04-30 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors. Proc.Natl.Acad.Sci.USA, 109, 2012
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5OY0
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![BU of 5oy0 by Molmil](/molmil-images/mine/5oy0) | Structure of synechocystis photosystem I trimer at 2.5A resolution | Descriptor: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | Authors: | Nelson, N, Malavath, T, Caspy, I. | Deposit date: | 2017-09-07 | Release date: | 2018-02-21 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis. Biochim. Biophys. Acta, 1859, 2018
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3LZ5
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![BU of 3lz5 by Molmil](/molmil-images/mine/3lz5) | Human aldose reductase mutant T113V complexed with IDD594 | Descriptor: | Aldose Reductase, CITRIC ACID, IDD594, ... | Authors: | Koch, C, Heine, A, Klebe, G. | Deposit date: | 2010-03-01 | Release date: | 2010-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors J.Mol.Biol., 406, 2011
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3LYM
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![BU of 3lym by Molmil](/molmil-images/mine/3lym) | |
1RCX
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![BU of 1rcx by Molmil](/molmil-images/mine/1rcx) | |
1RDJ
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![BU of 1rdj by Molmil](/molmil-images/mine/1rdj) | MANNOSE-BINDING PROTEIN, SUBTILISIN DIGEST FRAGMENT COMPLEX WITH BETA-METHYL-L-FUCOPYRANOSIDE | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-C, ... | Authors: | Ng, K.K.-S, Drickamer, K, Weis, W.I. | Deposit date: | 1995-09-05 | Release date: | 1996-03-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of monosaccharide recognition by rat liver mannose-binding protein. J.Biol.Chem., 271, 1996
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3M0X
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![BU of 3m0x by Molmil](/molmil-images/mine/3m0x) | Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329L in complex with D-psicose | Descriptor: | D-psicose, L-rhamnose isomerase, MANGANESE (II) ION | Authors: | Yoshida, H, Takeda, K, Izumori, K, Kamitori, S. | Deposit date: | 2010-03-03 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase Protein Eng.Des.Sel., 23, 2010
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1RGR
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![BU of 1rgr by Molmil](/molmil-images/mine/1rgr) | Cyclic Peptides Targeting PDZ Domains of PSD-95: Structural Basis for Enhanced Affinity and Enzymatic Stability | Descriptor: | BETA-ALANINE, Presynaptic density protein 95, postsynaptic protein CRIPT peptide | Authors: | Piserchio, A, Salinas, G.D, Li, T, Marshall, J, Spaller, M.R, Mierke, D.F. | Deposit date: | 2003-11-12 | Release date: | 2004-05-18 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Targeting Specific PDZ Domains of PSD-95; Structural Basis for Enhanced Affinity and Enzymatic Stability of a Cyclic Peptide. Chem.Biol., 11, 2004
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4B74
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![BU of 4b74 by Molmil](/molmil-images/mine/4b74) | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | Descriptor: | (2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | Deposit date: | 2012-08-16 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function Nat.Chem.Biol., 8, 2012
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4AY0
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![BU of 4ay0 by Molmil](/molmil-images/mine/4ay0) | High resolution crystal structure of the monomeric subunit-free Caf1M chaperone | Descriptor: | CHAPERONE PROTEIN CAF1M | Authors: | Yu, X.D, Dubnovitsky, A, Pudney, A.F, MacIntyre, S, Knight, S.D, Zavialov, A.V. | Deposit date: | 2012-06-16 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Allosteric Mechanism Controls Traffic in the Chaperone/Usher Pathway. Structure, 20, 2012
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5LDQ
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![BU of 5ldq by Molmil](/molmil-images/mine/5ldq) | Crystal structure of E.coli LigT complexed with NADP+ | Descriptor: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ... | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2016-06-27 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase. PLoS ONE, 12, 2017
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5LE5
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![BU of 5le5 by Molmil](/molmil-images/mine/5le5) | Native human 20S proteasome at 1.8 Angstrom | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | Deposit date: | 2016-06-29 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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3M3F
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![BU of 3m3f by Molmil](/molmil-images/mine/3m3f) | PEPA bound to the ligand binding domain of GluA3 (flop form) | Descriptor: | 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide, GLUTAMIC ACID, Glutamate receptor 3, ... | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | Deposit date: | 2010-03-09 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism of flop selectivity and subsite recognition for an AMPA receptor allosteric modulator: structures of GluA2 and GluA3 in complexes with PEPA. Biochemistry, 49, 2010
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1WPA
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4B7C
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![BU of 4b7c by Molmil](/molmil-images/mine/4b7c) | Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROBABLE OXIDOREDUCTASE | Authors: | Alphey, M.S, McMahon, S.A, Duthie, F.G, Naismith, J.H. | Deposit date: | 2012-08-17 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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3I77
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![BU of 3i77 by Molmil](/molmil-images/mine/3i77) | 35/99/170-loops of FXa in SGT | Descriptor: | ACETATE ION, CALCIUM ION, SULFATE ION, ... | Authors: | Page, M.J, Di Cera, E. | Deposit date: | 2009-07-08 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold. J.Mol.Biol., 399, 2010
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4B8N
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![BU of 4b8n by Molmil](/molmil-images/mine/4b8n) | Cytochrome b5 of Ostreococcus tauri virus 2 | Descriptor: | CYTOCHROME B5-HOST ORIGIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Isupov, M, Reid, E.L, Weynberg, K.D, Love, J, Wilson, W.H, Kelly, S.L, Lamb, D.C, Allen, M.J, Littlechild, J.A. | Deposit date: | 2012-08-28 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Functional and Structural Characterisation of a Viral Cytochrome B5. FEBS Lett., 587, 2013
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4BAT
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7AD7
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![BU of 7ad7 by Molmil](/molmil-images/mine/7ad7) | Crystal structure of human complement C5 in complex with the K8 bovine knob domain peptide. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | Deposit date: | 2020-09-14 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric modulation of Complement C5 by knob domain peptides. Elife, 10, 2021
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4BDC
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![BU of 4bdc by Molmil](/molmil-images/mine/4bdc) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-(furan-2-ylmethyl)quinoxaline-6-carboxamide, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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1RQ7
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![BU of 1rq7 by Molmil](/molmil-images/mine/1rq7) | MYCOBACTERIUM TUBERCULOSIS FTSZ IN COMPLEX WITH GDP | Descriptor: | Cell division protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | Deposit date: | 2003-12-04 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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3IAS
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![BU of 3ias by Molmil](/molmil-images/mine/3ias) | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sazanov, L.A, Berrisford, J.M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for the mechanism of respiratory complex I J.Biol.Chem., 284, 2009
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4AV7
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![BU of 4av7 by Molmil](/molmil-images/mine/4av7) | Structure determination of the double mutant S233Y F250G from the sec- alkyl sulfatase PisA1 | Descriptor: | SEC-ALKYLSULFATASE, SULFATE ION, ZINC ION | Authors: | Knaus, T, Schober, M, Faber, K, Macharaux, P, Wagner, U. | Deposit date: | 2012-05-24 | Release date: | 2012-12-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates. FEBS J., 279, 2012
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1RS8
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![BU of 1rs8 by Molmil](/molmil-images/mine/1rs8) | Bovine endothelial NOS heme domain with D-lysine-D-nitroarginine amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-12-09 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound. Biochemistry, 43, 2004
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