4M24
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![BU of 4m24 by Molmil](/molmil-images/mine/4m24) | Crystal structure of the endo-1,4-glucanase, RBcel1, in complex with cellobiose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Delsaute, M, Berlemont, R, Van elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2013-08-05 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Characterisation of two GH family 5 cellulases required for bacterial cellulose production To be Published
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6SAZ
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![BU of 6saz by Molmil](/molmil-images/mine/6saz) | Cleaved human fetuin-b in complex with crayfish astacin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | Authors: | Gomis-Ruth, F.X, Guevara, T, Cuppari, A, Korschgen, H, Schmitz, C, Kuske, M, Yiallouros, I, Floehr, J, Jahnen-Dechent, W, Stocker, W. | Deposit date: | 2019-07-18 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The C-terminal region of human plasma fetuin-B is dispensable for the raised-elephant-trunk mechanism of inhibition of astacin metallopeptidases. Sci Rep, 9, 2019
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5J9I
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5J0N
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![BU of 5j0n by Molmil](/molmil-images/mine/5j0n) | Lambda excision HJ intermediate | Descriptor: | Excisionase, Integrase, Integration host factor subunit alpha, ... | Authors: | Van Duyne, G, Grigorieff, N, Landy, A. | Deposit date: | 2016-03-28 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Structure of a Holliday junction complex reveals mechanisms governing a highly regulated DNA transaction. Elife, 5, 2016
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7UOQ
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![BU of 7uoq by Molmil](/molmil-images/mine/7uoq) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | Descriptor: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-04-13 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8867 Å) | Cite: | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. Acs Med.Chem.Lett., 13, 2022
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8F8W
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![BU of 8f8w by Molmil](/molmil-images/mine/8f8w) | Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, afucosylated IgG1 fragment | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D. | Deposit date: | 2022-11-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat Commun, 14, 2023
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8F8X
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![BU of 8f8x by Molmil](/molmil-images/mine/8f8x) | Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, Uncharacterized protein DKFZp686C11235 | Authors: | Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D. | Deposit date: | 2022-11-22 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody. Nat Commun, 14, 2023
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5JAA
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5JA9
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![BU of 5ja9 by Molmil](/molmil-images/mine/5ja9) | Crystal structure of the HigB2 toxin in complex with Nb6 | Descriptor: | 1,2-ETHANEDIOL, Nanobody 6, SULFATE ION, ... | Authors: | Hadzi, S, Loris, R. | Deposit date: | 2016-04-12 | Release date: | 2017-04-05 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism. Nucleic Acids Res., 45, 2017
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5JA8
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![BU of 5ja8 by Molmil](/molmil-images/mine/5ja8) | Crystal structure of the HigB2 toxin in complex with Nb2 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Hadzi, S, Loris, R. | Deposit date: | 2016-04-12 | Release date: | 2017-04-05 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism. Nucleic Acids Res., 45, 2017
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6HT9
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![BU of 6ht9 by Molmil](/molmil-images/mine/6ht9) | Mouse fetuin-B in complex with crayfish astacin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Astacin, ... | Authors: | Gomis-Ruth, F.X, Goulas, T, Guevara, T, Cuppari, A. | Deposit date: | 2018-10-03 | Release date: | 2019-03-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition. Iucrj, 6, 2019
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8EXD
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5MJE
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![BU of 5mje by Molmil](/molmil-images/mine/5mje) | Crystal structure of the HigB2 toxin in complex with Nb8 | Descriptor: | Cytotoxic translational repressor of toxin-antitoxin stability system, DI(HYDROXYETHYL)ETHER, Nanobody 8, ... | Authors: | Hadzi, S, Loris, R. | Deposit date: | 2016-11-30 | Release date: | 2017-04-05 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism. Nucleic Acids Res., 45, 2017
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8RKG
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![BU of 8rkg by Molmil](/molmil-images/mine/8rkg) | Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ... | Authors: | Nishio, S, de Sanctis, D, Jovine, L. | Deposit date: | 2023-12-25 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell, 187, 2024
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4EE9
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![BU of 4ee9 by Molmil](/molmil-images/mine/4ee9) | Crystal structure of the RBcel1 endo-1,4-glucanase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase | Authors: | Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C. | Deposit date: | 2012-03-28 | Release date: | 2013-04-03 | Last modified: | 2013-08-14 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Three-dimensional structure of RBcel1, a metagenome-derived psychrotolerant family GH5 endoglucanase. Acta Crystallogr.,Sect.F, 69, 2013
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4OD2
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6HPC
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6HPB
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1AAX
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![BU of 1aax by Molmil](/molmil-images/mine/1aax) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES | Descriptor: | 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Puius, Y.A, Zhao, Y, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | Deposit date: | 1997-01-16 | Release date: | 1998-03-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design. Proc.Natl.Acad.Sci.USA, 94, 1997
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3I81
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![BU of 3i81 by Molmil](/molmil-images/mine/3i81) | Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide] | Descriptor: | 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor | Authors: | Sack, J.S. | Deposit date: | 2009-07-09 | Release date: | 2009-12-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J.Med.Chem., 52, 2009
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3K6P
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![BU of 3k6p by Molmil](/molmil-images/mine/3k6p) | Estrogen Related Receptor alpha in Complex with an Ether Based Ligand | Descriptor: | 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile, Steroid hormone receptor ERR1 | Authors: | Abad, M.C, Patch, R.J. | Deposit date: | 2009-10-09 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents. To be Published
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5VB7
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![BU of 5vb7 by Molmil](/molmil-images/mine/5vb7) | X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide | Descriptor: | N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ... | Authors: | Li, X. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.335 Å) | Cite: | Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors. J. Biol. Chem., 292, 2017
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6BRD
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![BU of 6brd by Molmil](/molmil-images/mine/6brd) | Crystal structure of rifampin monooxygenase from Streptomyces venezuelae, complexed with rifampin and FAD | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Cox, G, Kelso, J, Stogios, P.J, Savchenko, A, Anderson, W.F, Wright, G.D, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-11-30 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Rox, a Rifamycin Resistance Enzyme with an Unprecedented Mechanism of Action. Cell Chem Biol, 25, 2018
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5VB6
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1PTY
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![BU of 1pty by Molmil](/molmil-images/mine/1pty) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B | Authors: | Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y. | Deposit date: | 1997-01-16 | Release date: | 1998-01-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design. Proc.Natl.Acad.Sci.USA, 94, 1997
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