2W7R
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![BU of 2w7r by Molmil](/molmil-images/mine/2w7r) | Structure of the PDZ domain of Human Microtubule associated serine- threonine kinase 4 | Descriptor: | MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 4, PHOSPHATE ION | Authors: | Muniz, J.R.C, Elkins, J, Wang, J, Savitzky, P, Roos, A, Salah, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2008-12-24 | Release date: | 2009-05-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
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7EKZ
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![BU of 7ekz by Molmil](/molmil-images/mine/7ekz) | Structural and functional insights into Hydra Actinoporin-Like Toxin 1 (HALT-1) | Descriptor: | FORMIC ACID, GLYCEROL, HALT-1 | Authors: | Ker, D.S, Sha, X.H, Jonet, M.A, Hwang, J.S, Ng, C.L. | Deposit date: | 2021-04-07 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural and functional analysis of Hydra Actinoporin-Like Toxin 1 (HALT-1). Sci Rep, 11, 2021
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2W9L
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![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | Descriptor: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-01-26 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
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2Y7B
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![BU of 2y7b by Molmil](/molmil-images/mine/2y7b) | Crystal structure of the PH domain of human Actin-binding protein anillin ANLN | Descriptor: | 1,2-ETHANEDIOL, ACTIN-BINDING PROTEIN ANILLIN | Authors: | Vollmar, M, Wang, J, Krojer, T, Elkins, J, Filippakopoulos, P, Ugochukwu, E, Cocking, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2011-01-31 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Ph Domain of Human Actin-Binding Protein Anillin Anln To be Published
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2BFF
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![BU of 2bff by Molmil](/molmil-images/mine/2bff) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-12-06 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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7KJX
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![BU of 7kjx by Molmil](/molmil-images/mine/7kjx) | Structure of HIV-1 reverse transcriptase initiation complex core with nevirapine | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7KJV
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![BU of 7kjv by Molmil](/molmil-images/mine/7kjv) | Structure of HIV-1 reverse transcriptase initiation complex core | Descriptor: | HIV-1 viral RNA fragment, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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7KJW
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![BU of 7kjw by Molmil](/molmil-images/mine/7kjw) | Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | Deposit date: | 2020-10-26 | Release date: | 2021-03-17 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs. Nat Commun, 12, 2021
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5TSP
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![BU of 5tsp by Molmil](/molmil-images/mine/5tsp) | Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase (NanI) in complex with a CHES | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Sialidase | Authors: | Lee, Y, Youn, H.-S, Lee, J.-G, An, J.Y, Park, K.R, Kang, J.Y, Jin, M.S, Ryu, Y.B, Park, K.H, Eom, S.H. | Deposit date: | 2016-10-31 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structure of the catalytic domain of Clostridium perfringens neuraminidase in complex with a non-carbohydrate-based inhibitor, 2-(cyclohexylamino)ethanesulfonic acid Biochem. Biophys. Res. Commun., 486, 2017
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3RE9
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![BU of 3re9 by Molmil](/molmil-images/mine/3re9) | Crystal structure of sortaseC1 from Streptococcus suis | Descriptor: | Sortase-like protein | Authors: | Lu, G, Qi, J, Gao, F, Yan, J, Tang, J, Gao, G.F. | Deposit date: | 2011-04-04 | Release date: | 2011-06-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A novel "open-form" structure of sortaseC from Streptococcus suis. Proteins, 79, 2011
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2BEV
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![BU of 2bev by Molmil](/molmil-images/mine/2bev) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ... | Authors: | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | Deposit date: | 2004-11-30 | Release date: | 2006-02-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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2JMX
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![BU of 2jmx by Molmil](/molmil-images/mine/2jmx) | OSCP-NT (1-120) in complex with N-terminal (1-25) alpha subunit from F1-ATPase | Descriptor: | ATP synthase O subunit, mitochondrial, ATP synthase subunit alpha heart isoform | Authors: | Carbajo, R.J, Neuhaus, D, Kellas, F.A, Yang, J, Runswick, M.J, Montgomery, M.G, Walker, J.E. | Deposit date: | 2006-12-12 | Release date: | 2007-04-24 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | How the N-terminal Domain of the OSCP Subunit of Bovine F(1)F(o)-ATP Synthase Interacts with the N-terminal Region of an Alpha Subunit J.Mol.Biol., 368, 2007
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2JPS
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![BU of 2jps by Molmil](/molmil-images/mine/2jps) | NAB2 N-terminal domain | Descriptor: | Nuclear polyadenylated RNA-binding protein NAB2 | Authors: | Grant, R, Marshall, N.J, Yang, J, Fasken, M, Kelly, S, Harreman, M.T, Neuhaus, D, Corbett, A.H, Stewart, M. | Deposit date: | 2007-05-23 | Release date: | 2008-03-18 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | Structure of the N-terminal Mlp1-binding domain of the Saccharomyces cerevisiae mRNA-binding protein, Nab2 J.Mol.Biol., 376, 2008
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3CNL
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![BU of 3cnl by Molmil](/molmil-images/mine/3cnl) | Crystal structure of GNP-bound YlqF from T. maritima | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Putative uncharacterized protein | Authors: | Kim, D.J, Jang, J.Y, Yoon, H.-J, Suh, S.W. | Deposit date: | 2008-03-26 | Release date: | 2008-06-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of YlqF, a circularly permuted GTPase: Implications for its GTPase activation in 50 S ribosomal subunit assembly Proteins, 72, 2008
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2WBV
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![BU of 2wbv by Molmil](/molmil-images/mine/2wbv) | Canine adenovirus 2 fibre head in complex with sialic acid | Descriptor: | FIBER PROTEIN, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | Deposit date: | 2009-03-05 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution. Plos Pathog., 5, 2009
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1FKN
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![BU of 1fkn by Molmil](/molmil-images/mine/1fkn) | Structure of Beta-Secretase Complexed with Inhibitor | Descriptor: | MEMAPSIN 2, inhibitor | Authors: | Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J. | Deposit date: | 2000-08-09 | Release date: | 2000-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor. Science, 290, 2000
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2V5R
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![BU of 2v5r by Molmil](/molmil-images/mine/2v5r) | Structural basis for Dscam isoform specificity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DSCAM, GLYCEROL | Authors: | Meijers, R, Puettmann-Holgado, R, Skiniotis, G, Liu, J.-H, Walz, T, Schmucker, D, Wang, J.-H. | Deposit date: | 2007-07-09 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis of Dscam Isoform Specificity Nature, 449, 2007
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4GO1
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![BU of 4go1 by Molmil](/molmil-images/mine/4go1) | Crystal Structure of full length transcription repressor LsrR from E. coli. | Descriptor: | GLYCEROL, Transcriptional regulator LsrR | Authors: | Wu, M, Tao, Y, Liu, X, Zang, J. | Deposit date: | 2012-08-17 | Release date: | 2013-04-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Phosphorylated Autoinducer-2 Modulation of the Oligomerization State of the Global Transcription Regulator LsrR from Escherichia coli J.Biol.Chem., 288, 2013
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3ZTN
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![BU of 3ztn by Molmil](/molmil-images/mine/3ztn) | STRUCTURE OF INFLUENZA A NEUTRALIZING ANTIBODY SELECTED FROM CULTURES OF SINGLE HUMAN PLASMA CELLS IN COMPLEX WITH HUMAN H1 INFLUENZA HAEMAGGLUTININ. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FI6V3 ANTIBODY LIGHT CHAIN, ... | Authors: | Hubbard, P.A, Ritchie, A.J, Corti, D, Voss, J.E, Gamblin, S.J, Codoni, G, Macagno, A, Jarrossay, D, Pinna, D, Minola, A, Vanzetta, F, Silacci, C, Fernandez-Rodriguez, B.M, Agatic, G, Giacchetto-Sasselli, I, Vachieri, S.G, Sallusto, F, Collins, P.J, Haire, L.F, Temperton, N, Langedijk, J.P.M, Skehel, J.J, Lanzavecchia, A. | Deposit date: | 2011-07-12 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | A Neutralizing Antibody Selected from Plasma Cells that Binds to Group 1 and Group 2 Influenza a Hemagglutinins. Science, 333, 2011
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3S2A
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![BU of 3s2a by Molmil](/molmil-images/mine/3s2a) | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2011-05-16 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives. J.Med.Chem., 54, 2011
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1I5T
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![BU of 1i5t by Molmil](/molmil-images/mine/1i5t) | SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C | Descriptor: | CYANIDE ION, CYTOCHROME C, HEME C | Authors: | Yao, Y, Qian, C, Ye, K, Wang, J, Tang, W. | Deposit date: | 2001-02-28 | Release date: | 2001-03-21 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of cyanoferricytochrome c: ligand-controlled conformational flexibility and electronic structure of the heme moiety. J.Biol.Inorg.Chem., 7, 2002
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1C5Y
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![BU of 1c5y by Molmil](/molmil-images/mine/1c5y) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | Authors: | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | Deposit date: | 1999-12-22 | Release date: | 2000-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1Z7I
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![BU of 1z7i by Molmil](/molmil-images/mine/1z7i) | |
1I5U
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![BU of 1i5u by Molmil](/molmil-images/mine/1i5u) | SOLUTION STRUCTURE OF CYTOCHROME B5 TRIPLE MUTANT (E48A/E56A/D60A) | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Qian, C, Yao, Y, Tang, W, Wang, J, Zhongxian, H. | Deposit date: | 2001-02-28 | Release date: | 2001-03-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Effects of charged amino-acid mutation on the solution structure of cytochrome b(5) and binding between cytochrome b(5) and cytochrome c. Protein Sci., 10, 2001
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5O2D
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![BU of 5o2d by Molmil](/molmil-images/mine/5o2d) | PARP14 Macrodomain 2 with inhibitor | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | Authors: | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-20 | Release date: | 2017-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
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