5RCV
 
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 17 | | Descriptor: | Endothiapepsin | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5AQ0
 | | The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D | | Descriptor: | CARBOXYPEPTIDASE D, GLYCEROL | | Authors: | Gallego, P, Garcia-Pardo, J, Lorenzo, J, Aviles, F.X, Ventura, S, Reverter, D. | | Deposit date: | 2015-09-18 | | Release date: | 2016-09-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The Structure of the Ttldomain of the Human Carboxypeptidase D
To be Published
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6YTU
 | | Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION | | Authors: | Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P. | | Deposit date: | 2020-04-24 | | Release date: | 2021-03-03 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif.
Febs J., 288, 2021
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6TWT
 | | Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Imiolczyk, B, Czyrko-Horczak, J, Brzezinski, K, Jaskolski, M. | | Deposit date: | 2020-01-13 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates.
Int.J.Biol.Macromol., 158, 2020
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8SY4
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, LEU-AIB-ALA-SER-LEU-ALA-SNC-AIB-LEU, NICOTINIC ACID | | Authors: | Hess, S.S, Nguyen, A.I. | | Deposit date: | 2023-05-24 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
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7G05
 | | Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol | | Descriptor: | 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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8GBI
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, LEU-(AIB)-ALA-CYS-LEU-CYS-CYS-(AIB)-LEU, ... | | Authors: | Hess, S.S, Nguyen, A.I. | | Deposit date: | 2023-02-26 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
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7FXF
 | | Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid | | Descriptor: | 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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8GKB
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, CADMIUM ION, LEU-AIB-ALA-SER-LEU-ALA-CYS-AIB-LEU, ... | | Authors: | Hess, S.S, Nguyen, A.I. | | Deposit date: | 2023-03-17 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Noncovalent Peptide Assembly Enables Crystalline, Permutable, and Reactive Thiol Frameworks.
J.Am.Chem.Soc., 145, 2023
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5RBW
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D06b | | Descriptor: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-03 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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3S6E
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7FWK
 | | Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide | | Descriptor: | 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5EWO
 | | Crystal structure of the human astrovirus 1 capsid protein spike domain at 0.95-A resolution | | Descriptor: | SULFATE ION, Structural protein | | Authors: | Bogdanoff, W, York, R.L, Yousefi, P.A, Haile, S, Tripathi, S, DuBois, R.M. | | Deposit date: | 2015-11-20 | | Release date: | 2015-12-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid.
J.Virol., 90, 2015
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7OV0
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7LTV
 | | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3 | | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7OTU
 | | Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2 | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Isoform 2 of Uridine 5'-monophosphate synthase | | Authors: | Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. | | Deposit date: | 2021-06-10 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
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1OT6
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6UGB
 | | C3 symmetric peptide design number 2, Baby Basil | | Descriptor: | C3 symmetric peptide design number 2, Baby Basil, CHLORIDE ION, ... | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-26 | | Release date: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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1MJ5
 | | LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution | | Descriptor: | 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Oakley, A.J, Damborsky, J, Wilce, M.C. | | Deposit date: | 2002-08-27 | | Release date: | 2003-08-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues.
Biochemistry, 43, 2004
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7DC4
 | | Crystal structure of glycan-bound Pseudomonas taiwanensis lectin | | Descriptor: | Lectin, SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose | | Authors: | Oda, K, Matoba, Y. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lectins engineered to favor a glycan-binding conformation have enhanced antiviral activity.
J.Biol.Chem., 296, 2021
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4KQP
 | | Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution | | Descriptor: | GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein | | Authors: | Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B. | | Deposit date: | 2013-05-15 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
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7G1Y
 | | Crystal Structure of human FABP4 in complex with 2-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid | | Descriptor: | 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Grenz-Achim, K, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5M2H
 | | Crystal structure of vancomycin-Zn(II)-citrate complex | | Descriptor: | CITRIC ACID, HEXAETHYLENE GLYCOL, Vancomycin, ... | | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria.
Sci Rep, 7, 2017
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4GA2
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2XOM
 | | Atomic resolution structure of TmCBM61 in complex with beta-1,4- galactotriose | | Descriptor: | ARABINOGALACTAN ENDO-1,4-BETA-GALACTOSIDASE, CALCIUM ION, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose | | Authors: | Cid, M, Lodberg-Pedersen, H, Kaneko, S, Coutinho, P.M, Henrissat, B, Willats, W.G.T, Boraston, A.B. | | Deposit date: | 2010-08-20 | | Release date: | 2010-09-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Recognition of the Helical Structure of Beta-1,4-Galactan by a New Family of Carbohydrate-Binding Modules.
J.Biol.Chem., 285, 2010
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