6CGS
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![BU of 6cgs by Molmil](/molmil-images/mine/6cgs) | mouse cadherin-7 EC1-2 adhesive fragment | Descriptor: | CALCIUM ION, Cadherin-7, GLYCEROL | Authors: | Brasch, J, Harrison, O.J, Kaczynska, A, Shapiro, L. | Deposit date: | 2018-02-20 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep, 23, 2018
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1R8K
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![BU of 1r8k by Molmil](/molmil-images/mine/1r8k) | PDXA PROTEIN; NAD-DEPENDENT DEHYDROGENASE/CARBOXYLASE; SUBUNIT OF PYRIDOXINE PHOSPHATE BIOSYNTHETIC PROTEIN PDXJ-PDXA [SALMONELLA TYPHIMURIUM] | Descriptor: | 4-hydroxythreonine-4-phosphate dehydrogenase 1, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Osipiuk, J, Quartey, P, Moy, S, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-10-27 | Release date: | 2003-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of NAD-dependent dehydrogenase/carboxylase of Salmonella typhimurium to be published
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1RU9
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![BU of 1ru9 by Molmil](/molmil-images/mine/1ru9) | Crystal Structure (A) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 4.6 with a data set collected in-house. | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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4YQZ
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![BU of 4yqz by Molmil](/molmil-images/mine/4yqz) | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form | Descriptor: | CHLORIDE ION, Putative oxidoreductase | Authors: | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-13 | Release date: | 2015-03-25 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form To be published
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1RUK
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![BU of 1ruk by Molmil](/molmil-images/mine/1ruk) | Crystal structure (C) of native cationic cyclization antibody 4C6 fab at pH 4.6 with a data set collected at SSRL beamline 9-1 | Descriptor: | ACETATE ION, BENZOIC ACID, GLYCEROL, ... | Authors: | Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A. | Deposit date: | 2003-12-11 | Release date: | 2004-03-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Probing the antibody-catalyzed water-oxidation pathway at atomic resolution. Proc.Natl.Acad.Sci.USA, 110, 2004
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4YUM
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![BU of 4yum by Molmil](/molmil-images/mine/4yum) | Multiconformer synchrotron model of CypA at 300 K | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S. | Deposit date: | 2015-03-18 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife, 4, 2015
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1BCU
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![BU of 1bcu by Molmil](/molmil-images/mine/1bcu) | ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, PROFLAVIN | Authors: | Conti, E, Rivetti, C, Wonacott, A, Brick, P. | Deposit date: | 1998-05-02 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin. FEBS Lett., 425, 1998
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4YDQ
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![BU of 4ydq by Molmil](/molmil-images/mine/4ydq) | Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Plasmodium falciparum in complex with Halofuginone and AMPPNP | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Jain, V, Yogavel, M, Sharma, A. | Deposit date: | 2015-02-23 | Release date: | 2015-05-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Prolyl-tRNA Synthetase-Halofuginone Complex Provides Basis for Development of Drugs against Malaria and Toxoplasmosis Structure, 23, 2015
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4NNN
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![BU of 4nnn by Molmil](/molmil-images/mine/4nnn) | yCP in complex with MG132 | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-18 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4WT1
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![BU of 4wt1 by Molmil](/molmil-images/mine/4wt1) | Complex of 70S ribosome with tRNA-Phe and mRNA with A-A mismatch in the second position in the A-site | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-10-29 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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6HNK
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![BU of 6hnk by Molmil](/molmil-images/mine/6hnk) | The ligand-free, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile. | Descriptor: | ABC-type transport system, sugar-family extracellular solute-binding protein | Authors: | Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R. | Deposit date: | 2018-09-15 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile. J.Biol.Chem., 294, 2019
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3RVD
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![BU of 3rvd by Molmil](/molmil-images/mine/3rvd) | Crystal structure of the binary complex, obtained by soaking, of photosyntetic a4 glyceraldehyde 3-phosphate dehydrogenase (gapdh) with cp12-2, both from arabidopsis thaliana. | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Fermani, S, Thumiger, A, Falini, G, Marri, L, Sparla, F, Trost, P. | Deposit date: | 2011-05-06 | Release date: | 2012-04-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly. J.Biol.Chem., 287, 2012
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4X0X
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![BU of 4x0x by Molmil](/molmil-images/mine/4x0x) | |
4WZO
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![BU of 4wzo by Molmil](/molmil-images/mine/4wzo) | Complex of 70S ribosome with tRNA-fMet and mRNA | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Demeshkina, N, Yusupov, M, Yusupova, G. | Deposit date: | 2014-11-20 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insights into the translational infidelity mechanism. Nat Commun, 6, 2015
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1B5G
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![BU of 1b5g by Molmil](/molmil-images/mine/1b5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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4NNJ
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![BU of 4nnj by Molmil](/molmil-images/mine/4nnj) | |
4NPV
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![BU of 4npv by Molmil](/molmil-images/mine/4npv) | Crystal structure of human PDE1B bound to inhibitor 7A (6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine) | Descriptor: | 6,7,8-trimethoxy-N-(pentan-3-yl)quinazolin-4-amine, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | Authors: | Pandit, J, Evdomikov, A, Mansour, M, Simons, S. | Deposit date: | 2013-11-22 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Small-molecule phosphodiesterase probes: discovery of potent and selective CNS-penetrable quinazoline inhibitors of PDE1 MEDCHEMCOMM, 2014
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6HP5
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![BU of 6hp5 by Molmil](/molmil-images/mine/6hp5) | ARBITRIUM PEPTIDE RECEPTOR FROM SPBETA PHAGE | Descriptor: | GLY-MET-PRO-ARG-GLY-ALA, SPBc2 prophage-derived uncharacterized protein YopK, SULFATE ION | Authors: | Marina, A, Gallego del Sol, F. | Deposit date: | 2018-09-19 | Release date: | 2019-02-20 | Last modified: | 2019-04-17 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Deciphering the Molecular Mechanism Underpinning Phage Arbitrium Communication Systems. Mol.Cell, 74, 2019
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4WXL
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![BU of 4wxl by Molmil](/molmil-images/mine/4wxl) | |
6HPN
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![BU of 6hpn by Molmil](/molmil-images/mine/6hpn) | Crystal structure of Borrelia spielmanii WP_012665240 (BSA64) - an orthologous protein to B. burgdorferi BBA64 | Descriptor: | Antigen, P35 | Authors: | Brangulis, K, Akopjana, I, Kazaks, A, Tars, K. | Deposit date: | 2018-09-21 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of the outer surface proteins from Borrelia burgdorferi paralogous gene family 54 that are thought to be the key players in the pathogenesis of Lyme disease. J.Struct.Biol., 210, 2020
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4X2R
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![BU of 4x2r by Molmil](/molmil-images/mine/4x2r) | Crystal structure of PriA from Actinomyces urogenitalis | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, PHOSPHATE ION | Authors: | MICHALSKA, K, VERDUZCO-CASTRO, E.A, ENDRES, M, BARONA-GOMEZ, F, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Evolution of substrate specificity in a retained enzyme driven by gene loss. Elife, 6, 2017
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4WZS
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6HZK
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![BU of 6hzk by Molmil](/molmil-images/mine/6hzk) | Crystal structure of redox-inhibited phosphoribulokinase from Synechococcus sp. (strain PCC 6301) | Descriptor: | Phosphoribulokinase | Authors: | Wilson, R.H, Bracher, A, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2018-10-23 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of phosphoribulokinase from Synechococcus sp. strain PCC 6301. Acta Crystallogr.,Sect.F, 75, 2019
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6HRR
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![BU of 6hrr by Molmil](/molmil-images/mine/6hrr) | Structure of the TRPML2 ELD at pH 6.5 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A. | Deposit date: | 2018-09-28 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain. Structure, 27, 2019
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6I0R
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![BU of 6i0r by Molmil](/molmil-images/mine/6i0r) | Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid | Descriptor: | 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2018-10-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination. Chem.Commun.(Camb.), 55, 2019
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