1H0K
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7R6R
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![BU of 7r6r by Molmil](/molmil-images/mine/7r6r) | Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor | Authors: | McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R. | Deposit date: | 2021-06-23 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence. Nat Commun, 13, 2022
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1GQ7
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![BU of 1gq7 by Molmil](/molmil-images/mine/1gq7) | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | Descriptor: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | Authors: | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | Deposit date: | 2001-11-20 | Release date: | 2002-06-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis. Biochem. J., 366, 2002
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1GZE
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![BU of 1gze by Molmil](/molmil-images/mine/1gze) | Structure of the Clostridium botulinum C3 exoenzyme (L177C mutant) | Descriptor: | MERCURY (II) ION, MONO-ADP-RIBOSYLTRANSFERASE C3 | Authors: | Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A. | Deposit date: | 2002-05-21 | Release date: | 2002-08-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme J.Biol.Chem., 277, 2002
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1GU7
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![BU of 1gu7 by Molmil](/molmil-images/mine/1gu7) | Enoyl thioester reductase from Candida tropicalis | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH, B-SPECIFIC] 1,MITOCHONDRIAL, GLYCEROL, ... | Authors: | Airenne, T.T, Torkko, J.M, Wierenga, R.K, Hiltunen, J.K. | Deposit date: | 2002-01-24 | Release date: | 2003-03-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Function Analysis of Enoyl Thioester Reductase Involved in Mitochondrial Maintenance J.Mol.Biol., 327, 2003
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1H2K
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![BU of 1h2k by Molmil](/molmil-images/mine/1h2k) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | Descriptor: | FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | Deposit date: | 2002-08-12 | Release date: | 2002-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1GQW
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![BU of 1gqw by Molmil](/molmil-images/mine/1gqw) | Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ... | Authors: | Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L. | Deposit date: | 2001-12-05 | Release date: | 2002-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates Biochemistry, 41, 2002
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1GZF
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![BU of 1gzf by Molmil](/molmil-images/mine/1gzf) | Structure of the Clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD | Descriptor: | 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM, ADENOSINE-5'-DIPHOSPHATE, MONO-ADP-RIBOSYLTRANSFERASE C3, ... | Authors: | Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A. | Deposit date: | 2002-05-21 | Release date: | 2002-08-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme J.Biol.Chem., 277, 2002
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1H2M
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![BU of 1h2m by Molmil](/molmil-images/mine/1h2m) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | Descriptor: | FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ... | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | Deposit date: | 2002-08-12 | Release date: | 2002-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1H2N
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![BU of 1h2n by Molmil](/molmil-images/mine/1h2n) | Factor Inhibiting HIF-1 alpha | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | Deposit date: | 2002-08-12 | Release date: | 2002-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1H2L
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![BU of 1h2l by Molmil](/molmil-images/mine/1h2l) | Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide | Descriptor: | 2-OXOGLUTARIC ACID, FACTOR INHIBITING HIF1, FE (II) ION, ... | Authors: | Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J. | Deposit date: | 2002-08-12 | Release date: | 2002-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha J.Biol.Chem., 278, 2003
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1GZ7
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![BU of 1gz7 by Molmil](/molmil-images/mine/1gz7) | Crystal structure of the closed state of lipase 2 from Candida rugosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LIPASE 2 | Authors: | Mancheno, J.M, Hermoso, J.A. | Deposit date: | 2002-05-17 | Release date: | 2003-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Insights Into the Lipase/Esterase Behavior in the Candida Rugosa Lipases Family: Crystal Structure of the Lipase 2 Isoenzyme at 1.97A Resolution J.Mol.Biol., 332, 2003
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1HA6
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![BU of 1ha6 by Molmil](/molmil-images/mine/1ha6) | NMR Solution Structure of Murine CCL20/MIP-3a Chemokine | Descriptor: | MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA | Authors: | Perez-Canadillas, J.M, Zaballos, A, Gutierrez, J, Varona, R, Roncal, F, Albar, J.P, Marquez, G, Bruix, M. | Deposit date: | 2001-03-28 | Release date: | 2001-08-22 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of Murine Ccl20/Mip3-A, a Chemiokine that Specifically Chemoattracs Immature Dendritic Cells and Lymphocytes Through its Highly Specific Interaction with the Beta-Chemokine Receptor Ccr6 J.Biol.Chem., 276, 2001
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1GYR
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![BU of 1gyr by Molmil](/molmil-images/mine/1gyr) | Mutant form of enoyl thioester reductase from Candida tropicalis | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, SULFATE ION | Authors: | Airenne, T.T, Torkko, J.M, Van Der Plas, S, Sormunen, R.T, Kastaniotis, A.J, Wierenga, R.K, Hiltunen, J.K. | Deposit date: | 2002-04-29 | Release date: | 2003-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Function Analysis of Enoyl Thioester Reductase Involved in Mitochondrial Maintenance J.Mol.Biol., 327, 2003
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1GQ6
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![BU of 1gq6 by Molmil](/molmil-images/mine/1gq6) | PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS | Descriptor: | MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE | Authors: | Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S. | Deposit date: | 2001-11-20 | Release date: | 2002-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis Biochem.J., 366, 2002
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1HQ3
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![BU of 1hq3 by Molmil](/molmil-images/mine/1hq3) | CRYSTAL STRUCTURE OF THE HISTONE-CORE-OCTAMER IN KCL/PHOSPHATE | Descriptor: | CHLORIDE ION, HISTONE H2A-IV, HISTONE H2B, ... | Authors: | Chantalat, L, Nicholson, J.M, Lambert, S.J, Reid, A.J, Donovan, M.J, Reynolds, C.D, Wood, C.M, Baldwin, J.P. | Deposit date: | 2000-12-14 | Release date: | 2001-01-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the histone-core octamer in KCl/phosphate crystals at 2.15 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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1HNN
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![BU of 1hnn by Molmil](/molmil-images/mine/1hnn) | CRYSTAL STRUCTURE OF HUMAN PNMT COMPLEXED WITH SK&F 29661 AND ADOHCY(SAH) | Descriptor: | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE, PHENYLETHANOLAMINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Martin, J.L, Begun, J, McLeish, M.J, Caine, J.M, Grunewald, G.L. | Deposit date: | 2000-12-07 | Release date: | 2001-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Getting the adrenaline going: crystal structure of the adrenaline-synthesizing enzyme PNMT. Structure, 9, 2001
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1HTX
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![BU of 1htx by Molmil](/molmil-images/mine/1htx) | SOLUTION STRUCTURE OF THE MAIN ALPHA-AMYLASE INHIBITOR FROM AMARANTH SEEDS | Descriptor: | ALPHA-AMYLASE INHIBITOR AAI | Authors: | Martins, J.C, Enassar, M, Willem, R, Wieruzeski, J.M, Lippens, G, Wodak, S.J. | Deposit date: | 2001-01-02 | Release date: | 2001-07-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the main alpha-amylase inhibitor from amaranth seeds. Eur.J.Biochem., 268, 2001
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5ISI
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![BU of 5isi by Molmil](/molmil-images/mine/5isi) | Crystal structure of mouse CARM1 in complex with inhibitor SA0920 (5'-amino-5'-deoxyadenosine) | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 5'-amino-5'-deoxyadenosine, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-03-15 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0920 (5'-amino-5'-deoxyadenosine) To Be Published
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2RK1
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![BU of 2rk1 by Molmil](/molmil-images/mine/2rk1) | DHFR R67 Complexed with NADP and dihydrofolate | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIHYDROFOLIC ACID, Dihydrofolate reductase type 2, ... | Authors: | Krahn, J.M, London, R.E. | Deposit date: | 2007-10-16 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of a type II dihydrofolate reductase catalytic ternary complex. Biochemistry, 46, 2007
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4LXA
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![BU of 4lxa by Molmil](/molmil-images/mine/4lxa) | Crystal Structure of Human Beta Secretase in Complex with Compound 11a | Descriptor: | (1R,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E. | Deposit date: | 2013-07-29 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides. Bioorg.Med.Chem.Lett., 23, 2013
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4LXV
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![BU of 4lxv by Molmil](/molmil-images/mine/4lxv) | Crystal Structure of the Hemagglutinin from a H1N1pdm A/WASHINGTON/5/2011 virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Yang, H, Chang, J.C, Guo, Z, Carney, P.J, Shore, D.A, Donis, R.O, Cox, N.J, Villanueva, J.M, Klimov, A.I, Stevens, J. | Deposit date: | 2013-07-30 | Release date: | 2014-02-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Stability of Influenza A(H1N1)pdm09 Virus Hemagglutinins. J.Virol., 88, 2014
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2RH2
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![BU of 2rh2 by Molmil](/molmil-images/mine/2rh2) | High Resolution DHFR R-67 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2 | Authors: | Krahn, J.M, London, R.E. | Deposit date: | 2007-10-05 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Crystal Structure of a Type II Dihydrofolate Reductase Catalytic Ternary Complex Biochemistry, 46, 2007
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4M0A
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![BU of 4m0a by Molmil](/molmil-images/mine/4m0a) | Human DNA Polymerase Mu post-catalytic complex | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA-directed DNA/RNA polymerase mu, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2013-08-01 | Release date: | 2014-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Sustained active site rigidity during synthesis by human DNA polymerase mu. Nat.Struct.Mol.Biol., 21, 2014
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4M21
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![BU of 4m21 by Molmil](/molmil-images/mine/4m21) | Crystal Structure of small molecule acrylamide 11 covalently bound to K-Ras G12C | Descriptor: | 1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one, GUANOSINE-5'-DIPHOSPHATE, K-Ras GTPase | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-08-05 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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