1LFH
 
 | | MOLECULAR REPLACEMENT SOLUTION OF THE STRUCTURE OF APOLACTOFERRIN, A PROTEIN DISPLAYING LARGE-SCALE CONFORMATIONAL CHANGE | | Descriptor: | CHLORIDE ION, LACTOFERRIN | | Authors: | Anderson, B.F, Baker, E.N, Norris, G.E. | | Deposit date: | 1991-09-04 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular replacement solution of the structure of apolactoferrin, a protein displaying large-scale conformational change.
Acta Crystallogr.,Sect.B, 47, 1991
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1RK5
 | | The D-aminoacylase mutant D366A in complex with 100mM CuCl2 | | Descriptor: | ACETATE ION, COPPER (II) ION, D-aminoacylase, ... | | Authors: | Lai, W.L, Chou, L.Y, Ting, C.Y, Tsai, Y.C, Liaw, S.H. | | Deposit date: | 2003-11-20 | | Release date: | 2004-04-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation.
J.Biol.Chem., 279, 2004
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1LO8
 | | X-ray crystal structure of 4-hydroxybenzoyl CoA thioesterase complexed with 4-hydroxybenzyl CoA | | Descriptor: | 4-HYDROXYBENZYL COENZYME A, 4-hydroxybenzoyl-CoA Thioesterase | | Authors: | Thoden, J.B, Holden, H.M, Zhuang, Z, Dunaway-Mariano, D. | | Deposit date: | 2002-05-06 | | Release date: | 2002-05-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase.
J.Biol.Chem., 277, 2002
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7W75
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7W76
 | | Crystal structure of the K. lactis Bre1 RBD in complex with Rad6, crystal form II | | Descriptor: | E3 ubiquitin-protein ligase BRE1, GLYCEROL, SULFATE ION, ... | | Authors: | Shi, M, Zhao, J, Xiang, S. | | Deposit date: | 2021-12-03 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for the Rad6 activation by the Bre1 N-terminal domain.
Elife, 12, 2023
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3VBM
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3VBJ
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8P9W
 | | vitamin D receptor complex with Xe4MeCF3 analog | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-[6,6,6-tris(fluoranyl)-5-oxidanyl-5-(trifluoromethyl)hexa-1,3-diynyl]-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Belorusova, A.Y, Rochel, N. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-26 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A vitamin D-based strategy overcomes chemoresistance in prostate cancer.
Br.J.Pharmacol., 2024
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1REF
 | | ENDO-1,4-BETA-XYLANASE II COMPLEX WITH 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE | | Descriptor: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside, BENZOIC ACID, ENDO-1,4-BETA-XYLANASE II | | Authors: | Rouvinen, J, Havukainen, R, Torronen, A. | | Deposit date: | 1995-12-21 | | Release date: | 1997-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent binding of three epoxyalkyl xylosides to the active site of endo-1,4-xylanase II from Trichoderma reesei.
Biochemistry, 35, 1996
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4O55
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1AK0
 | | P1 NUCLEASE IN COMPLEX WITH A SUBSTRATE ANALOG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-(DITHIO)PHOSPHATE, ... | | Authors: | Romier, C, Suck, D. | | Deposit date: | 1997-05-28 | | Release date: | 1997-12-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Recognition of single-stranded DNA by nuclease P1: high resolution crystal structures of complexes with substrate analogs.
Proteins, 32, 1998
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6UNG
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2019-10-11 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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6UNJ
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2019-10-12 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4.
Bioorg.Med.Chem., 28, 2020
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8P1G
 | | Crystal structure of inactive TtCE16 in complex with acetate | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dimarogona, M, Kosinas, C, Pentari, C, Zerva, A, Topakas, E, Karampa, P. | | Deposit date: | 2023-05-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase.
Carbohydr Polym, 327, 2024
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8P6U
 | | Human carbonic anhydrase II containing 5-fluorotryptophanes | | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
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8S3D
 | | Crystal structure of Medicago truncatula glutamate dehydrogenase 2 in complex with 2-amino-2-hydroxyglutarate (reaction intermediate) and NAD | | Descriptor: | (2S)-2-azanyl-2-oxidanyl-pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Grzechowiak, M, Ruszkowski, M. | | Deposit date: | 2024-02-19 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Legume-type glutamate dehydrogenase: Structure, activity, and inhibition studies.
Int.J.Biol.Macromol., 278, 2024
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4UF1
 | | Deerpox virus DPV022 in complex with Bak BH3 | | Descriptor: | Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION | | Authors: | Burton, D.R, Kvansakul, M. | | Deposit date: | 2014-12-23 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis.
Acta Crystallogr.,Sect.D, 71, 2015
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1EBG
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5TKV
 | | X-RAY CRYSTAL STRUCTURE OF THE "CLOSED" CONFORMATION OF CTP-INHIBITED E. COLI CYTIDINE TRIPHOSPHATE (CTP) SYNTHETASE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, ... | | Authors: | Baldwin, E.P, Endrizzi, J.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
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1J2U
 | | Creatininase Zn | | Descriptor: | SULFATE ION, ZINC ION, creatinine amidohydrolase | | Authors: | Yoshimoto, T, Tanaka, N, Kanada, N, Inoue, T, Nakajima, Y, Haratake, M, Nakamura, K.T, Xu, Y, Ito, K. | | Deposit date: | 2003-01-11 | | Release date: | 2004-01-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of creatininase reveal the substrate binding site and provide an insight into the catalytic mechanism
J.Mol.Biol., 337, 2004
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3AVF
 | | Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site | | Descriptor: | ACETIC ACID, CHLORIDE ION, Integrase, ... | | Authors: | Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I. | | Deposit date: | 2011-03-05 | | Release date: | 2012-01-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
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3VBP
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2XJF
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1A6L
 | | T14C MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Gao-Sheridan, H.S, Kemper, M.A, Khayat, R, Armstrong, F.A, Prasad, G.S, Sridhar, V, Stout, C.D, Burgess, B.K. | | Deposit date: | 1998-02-26 | | Release date: | 1998-05-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A T14C variant of Azotobacter vinelandii ferredoxin I undergoes facile [3Fe-4S]0 to [4Fe-4S]2+ conversion in vitro but not in vivo.
J.Biol.Chem., 273, 1998
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7Z77
 | | Crystal structure of compound 6 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo.
Nat Commun, 13, 2022
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