1AFE
 
 | | HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP | | Descriptor: | 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 1997-03-06 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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4WGI
 | | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | | Descriptor: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | | Deposit date: | 2014-09-18 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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1FAE
 | | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellobiose | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-13 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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1AE8
 | | HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP | | Descriptor: | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ... | | Authors: | De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P. | | Deposit date: | 1997-03-06 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
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1F9O
 | | Crystal structure of the cellulase Cel48F from C. Cellulolyticum with the thiooligosaccharide inhibitor PIPS-IG3 | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-iodophenyl 1,4-dithio-beta-D-glucopyranoside | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-11 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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1FBO
 | | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellobiitol | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-D-glucose | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-16 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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4WSY
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4WT6
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4WWF
 | | High-resolution structure of two Ni-bound forms of the M123C mutant of C. metallidurans CnrXs | | Descriptor: | NICKEL (II) ION, Nickel and cobalt resistance protein CnrR, SODIUM ION | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kinnemann, S, Grosse, C, Schleuder, G, Petit-Hurtlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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4WYL
 | | Mutant K18E of 3D polymerase from Foot-and-Moth Disease Virus | | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E. | | Deposit date: | 2014-11-17 | | Release date: | 2015-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
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4X2B
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1FBW
 | | Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellohexaose | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-17 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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4WRS
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4WYW
 | | Mutant K20E of 3D polymerase from Foot-and-Mouth Disease Virus | | Descriptor: | ACETATE ION, GLYCEROL, RNA-directed RNA polymerase 3D-POL, ... | | Authors: | Ferrer-Orta, C, Verdaguer, N, de la Higuera, I, Domingo, E. | | Deposit date: | 2014-11-18 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
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2XDP
 | | Crystal structure of the tudor domain of human JMJD2C | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION | | Authors: | Yue, W.W, Gileadi, C, Krojer, T, Weisbach, H, Ugochukwu, E, Daniel, M, Phillips, C, Chaikuad, A, von Delft, F, Allerston, C, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | | Deposit date: | 2010-05-06 | | Release date: | 2010-06-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Crystal Structure of the Tudor Domain of Human Jmjd2C
To be Published
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4X5T
 | | alpha 1 glycine receptor transmembrane structure fused to the extracellular domain of GLIC | | Descriptor: | ACETATE ION, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Sauguet, L, Corringer, P.J, Huon, C, Delarue, M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Allosteric and hyperekplexic mutant phenotypes investigated on an alpha 1 glycine receptor transmembrane structure.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1G9G
 | | XTAL-STRUCTURE OF THE FREE NATIVE CELLULASE CEL48F | | Descriptor: | CALCIUM ION, CELLULASE CEL48F, MAGNESIUM ION | | Authors: | Parsiegla, G, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-11-23 | | Release date: | 2003-06-24 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of mutants of cellulase Cel48F of Clostridium cellulolyticum in complex with long hemithiocellooligosaccharides give rise to a new view of the substrate pathway during processive action
J.Mol.Biol., 375, 2008
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4WWD
 | | High-resolution structure of the Co-bound form of the Y135F mutant of C. metallidurans CnrXs | | Descriptor: | CARBON DIOXIDE, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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4WYJ
 | | Adenovirus 3 head domain mutant V239D | | Descriptor: | Fiber protein, SULFATE ION | | Authors: | Lieber, A, Zubieta, C, Fender, P. | | Deposit date: | 2014-11-17 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin.
Mol Ther Methods Clin Dev, 2, 2015
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4X5X
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4WZM
 | | Mutant K18E of RNA dependent RNA polymerase from Foot-and-Mouth Disease Virus complexed with RNA | | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Verdaguer, N, Ferrer-Orta, C, de la Higuera, N. | | Deposit date: | 2014-11-20 | | Release date: | 2015-05-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
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4WWB
 | | High-resolution structure of the Ni-bound form of the Y135F mutant of C. metallidurans CnrXs | | Descriptor: | CARBON DIOXIDE, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Volbeda, A, Coves, J, Maillard, A.P, Kuennemann, S, Grosse, C, Schleuder, G, Petit-Haertlein, I, de Rosny, E, Nies, D.H. | | Deposit date: | 2014-11-10 | | Release date: | 2015-02-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Response of CnrX from Cupriavidus metallidurans CH34 to nickel binding.
Metallomics, 7, 2015
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4WZQ
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4X5W
 | | HLA-DR1 with CLIP102-120(M107W) | | Descriptor: | HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ... | | Authors: | Guenther, S, Freund, C. | | Deposit date: | 2014-12-06 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
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