1WIV
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![BU of 1wiv by Molmil](/molmil-images/mine/1wiv) | solution structure of RSGI RUH-023, a UBA domain from Arabidopsis cDNA | Descriptor: | ubiquitin-specific protease 14 | Authors: | Higuchi, Y, Abe, T, Hirota, H, Izumi, K, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-28 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | solution structure of RSGI RUH-023, a UBA domain from Arabidopsis cDNA To be Published
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1WTC
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![BU of 1wtc by Molmil](/molmil-images/mine/1wtc) | Crystal Structure of S.pombe Serine Racemase complex with AMPPCP | Descriptor: | Hypothetical protein C320.14 in chromosome III, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Goto, M, Miyahara, I, Hirotsu, K. | Deposit date: | 2004-11-22 | Release date: | 2005-11-01 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a homolog of mammalian serine racemase from Schizosaccharomyces pombe J.Biol.Chem., 284, 2009
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1X4P
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![BU of 1x4p by Molmil](/molmil-images/mine/1x4p) | Solution structure of SURP domain in SFRS14 protei | Descriptor: | Putative splicing factor, arginine/serine-rich 14 | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-05-14 | Release date: | 2005-11-14 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of SURP domain in SFRS14 protei To be Published
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1W1I
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![BU of 1w1i by Molmil](/molmil-images/mine/1w1i) | Crystal structure of dipeptidyl peptidase IV (DPPIV or CD26) in complex with adenosine deaminase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2004-06-22 | Release date: | 2004-09-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface. J. Biol. Chem., 279, 2004
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1VEK
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![BU of 1vek by Molmil](/molmil-images/mine/1vek) | Solution Structure of RSGI RUH-011, a UBA Domain from Arabidopsis cDNA | Descriptor: | ubiquitin-specific protease 14, putative | Authors: | Higuchi, Y, Abe, T, Hirota, H, Saito, K, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-03-31 | Release date: | 2004-09-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution Structure of RSGI RUH-011, a UBA Domain from Arabidopsis cDNA To be Published
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1W0J
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![BU of 1w0j by Molmil](/molmil-images/mine/1w0j) | Beryllium fluoride inhibited bovine F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, MITOCHONDRIAL PRECURSOR, ... | Authors: | Kagawa, R, Montgomery, M.G, Braig, K, Walker, J.E, Leslie, A.G.W. | Deposit date: | 2004-06-08 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Bovine F1-ATPase Inhibited by Adp and Beryllium Fluoride Embo J., 23, 2004
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2H36
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1XCK
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![BU of 1xck by Molmil](/molmil-images/mine/1xck) | Crystal structure of apo GroEL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H. | Deposit date: | 2004-09-02 | Release date: | 2005-10-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Crystal structure of wild-type chaperonin GroEL J.Mol.Biol., 354, 2005
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6MEY
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![BU of 6mey by Molmil](/molmil-images/mine/6mey) | Crystal structure of KPC-2 with compound 9 | Descriptor: | (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide, ACETATE ION, Carbapenem-hydrolyzing beta-lactamase KPC | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-09-07 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
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2J1M
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![BU of 2j1m by Molmil](/molmil-images/mine/2j1m) | P450 BM3 Heme domain in complex with DMSO | Descriptor: | CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. | Deposit date: | 2006-08-14 | Release date: | 2007-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3. J.Am.Chem.Soc., 129, 2007
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1ZHL
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![BU of 1zhl by Molmil](/molmil-images/mine/1zhl) | Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | Deposit date: | 2005-04-26 | Release date: | 2005-05-17 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance J.Biol.Chem., 280, 2005
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6MSJ
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![BU of 6msj by Molmil](/molmil-images/mine/6msj) | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | Authors: | Mao, Y.D. | Deposit date: | 2018-10-16 | Release date: | 2018-11-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome. Nature, 565, 2019
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6MSG
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![BU of 6msg by Molmil](/molmil-images/mine/6msg) | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | Authors: | Mao, Y.D. | Deposit date: | 2018-10-16 | Release date: | 2018-11-21 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome. Nature, 565, 2019
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1ZHK
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![BU of 1zhk by Molmil](/molmil-images/mine/1zhk) | Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | Deposit date: | 2005-04-26 | Release date: | 2005-05-17 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance J.Biol.Chem., 280, 2005
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2JDI
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![BU of 2jdi by Molmil](/molmil-images/mine/2jdi) | Ground state structure of F1-ATPase from bovine heart mitochondria (Bovine F1-ATPase crystallised in the absence of azide) | Descriptor: | ATP SYNTHASE DELTA CHAIN, ATP SYNTHASE EPSILON CHAIN, ATP SYNTHASE GAMMA CHAIN, ... | Authors: | Bowler, M.W, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2007-01-09 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ground State Structure of F1-ATPase from Bovine Heart Mitochondria at 1.9 A Resolution J.Biol.Chem., 282, 2007
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5OTR
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![BU of 5otr by Molmil](/molmil-images/mine/5otr) | The crystal structure of CK2alpha in complex with compound 14 | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6G2I
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![BU of 6g2i by Molmil](/molmil-images/mine/6g2i) | Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution | Descriptor: | Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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1MMV
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![BU of 1mmv by Molmil](/molmil-images/mine/1mmv) | Rat neuronal NOS heme domain with NG-propyl-L-arginine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-PROPYL-L-ARGININE, ... | Authors: | Bretscher, L.E, Li, H, Poulos, T.L, Griffith, O.W. | Deposit date: | 2002-09-04 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural characterization and kinetics of nitric-oxide synthase inhibition by novel N5-(iminoalkyl)- and N5-(iminoalkenyl)-ornithines J.Biol.Chem., 278, 2003
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4XLQ
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![BU of 4xlq by Molmil](/molmil-images/mine/4xlq) | |
4XRY
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![BU of 4xry by Molmil](/molmil-images/mine/4xry) | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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6FYM
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![BU of 6fym by Molmil](/molmil-images/mine/6fym) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1 | Descriptor: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | Deposit date: | 2018-03-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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3FFD
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![BU of 3ffd by Molmil](/molmil-images/mine/3ffd) | Structure of parathyroid hormone-related protein complexed to a neutralizing monoclonal antibody | Descriptor: | Monoclonal antibody, heavy chain, Fab fragment, ... | Authors: | Mckinstry, W.J, Polekhina, G, Diefenbach-Jagger, H, Ho, P.W.M, Sato, K, Onuma, E, Gillespie, M.T, Martin, T.J, Parker, M.W. | Deposit date: | 2008-12-03 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for antibody discrimination between two hormones that recognize the parathyroid hormone receptor J.Biol.Chem., 284, 2009
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5PI1
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![BU of 5pi1 by Molmil](/molmil-images/mine/5pi1) | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 14) | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ... | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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6FZM
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![BU of 6fzm by Molmil](/molmil-images/mine/6fzm) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | Descriptor: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | Deposit date: | 2018-03-15 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity. Cell Chem Biol, 25, 2018
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6G0W
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![BU of 6g0w by Molmil](/molmil-images/mine/6g0w) | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72 | Descriptor: | 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H. | Deposit date: | 2018-03-20 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14. Bioorg. Med. Chem. Lett., 28, 2018
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