PDB: 71589 resultsInfo pagesStatus searchChemie searchBIRD

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6G1H	Amine Dehydrogenase from Petrotoga mobilis; open form Descriptor: 1,2-ETHANEDIOL, Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Beloti, L, Frese, A, Mayol, O, Vergne-Vaxelaire, C, Grogan, G. Deposit date: 2018-03-21 Release date: 2019-03-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.79 Å) Cite: A family of native amine dehydrogenases for the asymmetric reductive amination of ketones Nat Catal, 2019
6GWE	Crystal structure of Thrombin bound to P2 macrocycle Descriptor: (10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Cendron, L, Angelini, A, Kale, S.S, Bergeron-Brlek, M, Wu, Y, Heinis, C. Deposit date: 2018-06-23 Release date: 2019-09-25 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Thiol-to-amine cyclization reaction enables screening of large libraries of macrocyclic compounds and the generation of sub-kilodalton ligands. Sci Adv, 5, 2019
6ZXO	Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex) Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ... Authors: Pozzi, C, Mangani, S. Deposit date: 2020-07-30 Release date: 2021-05-19 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations. Cancers (Basel), 13, 2021
6DF2	Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide Descriptor: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU Authors: Mou, K, Leung, K, Wells, J.A. Deposit date: 2018-05-13 Release date: 2018-11-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif. J. Am. Chem. Soc., 140, 2018
1T6C	Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... Authors: Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M. Deposit date: 2004-05-06 Release date: 2004-08-03 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family Biochemistry, 43, 2004
6DIX	NFVFGT segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 98-103, assembled as an amyloid fibril Descriptor: NFVFGT Immunoglobulin Light-Chain Variable Domain Authors: Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. Deposit date: 2018-05-23 Release date: 2018-10-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1 Å) Cite: Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis. J. Biol. Chem., 293, 2018
2PDX	Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-04-01 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
4BJ0	Xyloglucan binding module (CBM4-2 X2-L110F) in complex with branched xyloses Descriptor: CALCIUM ION, XYLANASE, alpha-D-glucopyranose, ... Authors: Schantz, L, Hakansson, M, Logan, D.T, Nordberg-Karlsson, E, Ohlin, M. Deposit date: 2013-04-15 Release date: 2014-04-23 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1 Å) Cite: Carbohydrate Binding Module Recognition of Xyloglucan Defined by Polar Contacts with Branching Xyloses and Ch-Pi Interactions. Proteins, 82, 2014
2PDB	Human aldose reductase mutant F121P complexed with zopolrestat. Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-03-31 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
2PDL	Human aldose reductase mutant L301M complexed with tolrestat. Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-04-01 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
6D40	Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Descriptor: Plasminogen, SULFATE ION, Trypsin inhibitor 1 Authors: Law, R.H.P, Wu, G. Deposit date: 2018-04-17 Release date: 2019-01-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
6H5O	Crystal structure of PBP2a from MRSA in complex with piperacillin at active site. Descriptor: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form) Authors: Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A. Deposit date: 2018-07-25 Release date: 2019-08-14 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.82 Å) Cite: The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
2PDP	Human aldose reductase mutant S302R complexed with IDD 393. Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-04-01 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
6AVR	Human alpha-V beta-3 Integrin (intermediate conformation) in complex with the therapeutic antibody LM609 Descriptor: Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... Authors: Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. Deposit date: 2017-09-04 Release date: 2017-11-01 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (35 Å) Cite: The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
6AVQ	The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha-V beta-3 Integrin via Steric Hindrance Descriptor: Integrin alpha-V, Integrin beta-3, LM609 Fab heavy chain, ... Authors: Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. Deposit date: 2017-09-04 Release date: 2017-11-01 Last modified: 2024-03-13 Method: ELECTRON MICROSCOPY (35 Å) Cite: The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
6D3Y	Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Descriptor: GLYCEROL, Plasminogen, SULFATE ION, ... Authors: Law, R.H.P, Wu, G. Deposit date: 2018-04-17 Release date: 2019-01-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
6D3X	Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma Descriptor: Plasminogen, Trypsin inhibitor 1 Authors: Law, R.H.P, Wu, G. Deposit date: 2018-04-17 Release date: 2019-01-23 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. Chem., 62, 2019
1DI0	CRYSTAL STRUCTURE OF LUMAZINE SYNTHASE FROM BRUCELLA ABORTUS Descriptor: LUMAZINE SYNTHASE, PHOSPHATE ION Authors: Braden, B.C, Velikovsky, C.A, Cauerhff, A.A, Polikarpov, I, Goldbaum, F.A. Deposit date: 1999-11-28 Release date: 2000-04-24 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Divergence in macromolecular assembly: X-ray crystallographic structure analysis of lumazine synthase from Brucella abortus. J.Mol.Biol., 297, 2000
6DIY	YTFGQ segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 96-100, assembled as an amyloid fibril Descriptor: YTFGQ segment Light-Chain Variable Domain Kappa AL09 Authors: Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S. Deposit date: 2018-05-24 Release date: 2018-10-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (0.9 Å) Cite: Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis. J. Biol. Chem., 293, 2018
2O40	Crystal Structure of a Chemically Synthesized 203 Amino Acid 'Covalent Dimer' HIV-1 Protease Molecule Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, covalent dimer HIV-1 protease Authors: Torbeev, V.Y, Kent, S.B.H. Deposit date: 2006-12-02 Release date: 2006-12-19 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Convergent chemical synthesis and crystal structure of a 203 amino acid "covalent dimer" HIV-1 protease enzyme molecule. Angew.Chem.Int.Ed.Engl., 46, 2007
3ZPS	Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Authors: Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. Deposit date: 2013-03-01 Release date: 2013-11-06 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors. J.Med.Chem., 56, 2013
3ZPT	Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Authors: Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. Deposit date: 2013-03-01 Release date: 2013-11-06 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors J.Med.Chem., 56, 2013
2PDG	Human aldose reductase with uracil-type inhibitor at 1.42A. Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-03-31 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
2PD5	Human aldose reductase mutant V47I complexed with zopolrestat Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-03-31 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
2PDC	Human aldose reductase mutant F121P complexed with IDD393. Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Steuber, H, Heine, A, Klebe, G. Deposit date: 2007-03-31 Release date: 2008-04-01 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008

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