6PRC
| PHOTOSYNTHETIC REACTION CENTER FROM RHODOPSEUDOMONAS VIRIDIS (DG-420314 (TRIAZINE) COMPLEX) | Descriptor: | 15-cis-1,2-dihydroneurosporene, 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE, BACTERIOCHLOROPHYLL B, ... | Authors: | Lancaster, C.R.D, Michel, H. | Deposit date: | 1997-07-31 | Release date: | 1999-04-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined crystal structures of reaction centres from Rhodopseudomonas viridis in complexes with the herbicide atrazine and two chiral atrazine derivatives also lead to a new model of the bound carotenoid. J.Mol.Biol., 286, 1999
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1FYU
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1KTW
| IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | Authors: | Michel, G, Kahn, R, Dideberg, O. | Deposit date: | 2002-01-18 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae. J.Mol.Biol., 334, 2003
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5Q0I
| Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide, Bile acid receptor, COACTIVATOR PEPTIDE PGC-1A PPAR GAMMA COACTIVATOR | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5L88
| AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ... | Authors: | Rupp, B, Naschberger, A. | Deposit date: | 2016-06-07 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling. Acta Crystallogr D Struct Biol, 72, 2016
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4WK9
| Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.102 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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4WKH
| Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (1mM) at 1.05 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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6NFF
| Structure of X-prolyl dipeptidyl aminopeptidase from Lactobacillus helveticus | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Juers, D.H, Bratt, N.J, Ojennus, D.D. | Deposit date: | 2018-12-20 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization of a prolyl aminodipeptidase (PepX) from Lactobacillus helveticus. Acta Crystallogr.,Sect.F, 75, 2019
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5E4T
| Acetylcholinesterase Methylene Blue with PEG | Descriptor: | 1,2-ETHANEDIOL, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | Authors: | Dym, O. | Deposit date: | 2015-10-07 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex. Protein Sci., 25, 2016
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1IZ2
| Interactions causing the kinetic trap in serpin protein folding | Descriptor: | alpha-D-glucopyranose-(1-2)-(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose, alpha1-antitrypsin | Authors: | Im, H, Woo, M.-S, Hwang, K.Y, Yu, M.-H. | Deposit date: | 2002-09-19 | Release date: | 2003-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interactions causing the kinetic trap in serpin protein folding J.BIOL.CHEM., 277, 2002
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6OO8
| Dehaloperoxidase B in complex with substrate pentachlorophenol | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | Deposit date: | 2019-04-22 | Release date: | 2020-04-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
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6ONG
| Dehaloperoxidate B in complex with substrate 4-F-cresol | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-2-methylphenol, Dehaloperoxidase B, ... | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, McGuire, A. | Deposit date: | 2019-04-22 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants. Arch.Biochem.Biophys., 673, 2019
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7O07
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8DFZ
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1PS3
| Golgi alpha-mannosidase II in complex with kifunensine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase II, ... | Authors: | Shah, N, Kuntz, D.A, Rose, D.R. | Deposit date: | 2003-06-20 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of Kifunensine and 1-Deoxymannojirimycin Binding to Class I and II alpha-Mannosidases Demonstrates Different Saccharide Distortions in Inverting and Retaining Catalytic Mechanisms Biochemistry, 42, 2003
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7PJD
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7PH1
| Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Dimos, N, Leppkes, J, Koksch, B, Loll, B. | Deposit date: | 2021-08-16 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment. J.Phys.Chem.B, 126, 2022
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8GW0
| Crystal structure of the human dihydroorotase domain in complex with malic acid | Descriptor: | (2S)-2-hydroxybutanedioic acid, CAD protein, ZINC ION | Authors: | Yang, P.C, Liu, H.W, Huang, H.Y, Huang, C.Y. | Deposit date: | 2022-09-16 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Complexed Crystal Structure of the Dihydroorotase Domain of Human CAD Protein with the Anticancer Drug 5-Fluorouracil. Biomolecules, 13, 2023
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8GVZ
| Crystal structure of the human dihydroorotase domain in complex with the anticancer drug 5-fluorouracil | Descriptor: | 5-FLUOROURACIL, CAD protein, ZINC ION | Authors: | Liu, H.W, Yang, P.C, Huang, H.Y, Huang, C.Y. | Deposit date: | 2022-09-16 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Complexed Crystal Structure of the Dihydroorotase Domain of Human CAD Protein with the Anticancer Drug 5-Fluorouracil. Biomolecules, 13, 2023
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8EJX
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7ANV
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4YDX
| Crystal structure of cisplatin bound to a human copper chaperone (monomer) - new refinement | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ... | Authors: | Shabalin, I.G, Boal, A.K, Dauter, Z, Jaskolski, M, Minor, W, Rosenzweig, A.C, Wlodawer, A. | Deposit date: | 2015-02-23 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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4YEA
| Crystal structure of cisplatin bound to a human copper chaperone (dimer) - new refinement | Descriptor: | COPPER (II) ION, Copper transport protein ATOX1, SULFATE ION | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2015-02-23 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
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6MV1
| 2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form) | Descriptor: | Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H. | Deposit date: | 2018-10-24 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring. Acta Crystallogr D Struct Biol, 75, 2019
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6MV2
| 2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form) | Descriptor: | Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H. | Deposit date: | 2018-10-24 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring. Acta Crystallogr D Struct Biol, 75, 2019
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