8FMI
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![BU of 8fmi by Molmil](/molmil-images/mine/8fmi) | Crystal structure of human KRAS at 1.12 A | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION | Authors: | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | Deposit date: | 2022-12-23 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Biochemistry, 62, 2023
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8FMJ
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![BU of 8fmj by Molmil](/molmil-images/mine/8fmj) | Crystal structure of human KRAS in space group R32 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | Deposit date: | 2022-12-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Biochemistry, 62, 2023
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8FMK
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![BU of 8fmk by Molmil](/molmil-images/mine/8fmk) | Crystal structure of human KRAS with extended switch I loop | Descriptor: | CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Brenner, R, Landgraf, A, Gonzalez-Gutierrez, G, Bum-Erdene, K, Meroueh, S.O. | Deposit date: | 2022-12-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Biochemistry, 62, 2023
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2HXU
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![BU of 2hxu by Molmil](/molmil-images/mine/2hxu) | Crystal structure of K220A mutant of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and L-fuconate | Descriptor: | 6-deoxy-L-galactonic acid, L-fuconate dehydratase, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | Deposit date: | 2006-08-03 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris. Biochemistry, 45, 2006
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8FCG
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![BU of 8fcg by Molmil](/molmil-images/mine/8fcg) | Cryo-EM structure of Chikungunya virus asymmetric unit | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Capsid protein, E1 glycoprotein, ... | Authors: | Su, G.C, Chmielewsk, D, Kaelber, J, Pintilie, G, Chen, M, Jin, J, Auguste, A, Chiu, W. | Deposit date: | 2022-12-01 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryogenic electron microscopy and tomography reveal imperfect icosahedral symmetry in alphaviruses. Pnas Nexus, 3, 2024
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4MQV
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![BU of 4mqv by Molmil](/molmil-images/mine/4mqv) | Crystal complex of Rpa32c and Smarcal1 N-terminus | Descriptor: | Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1 | Authors: | Xie, S, Qian, C.M. | Deposit date: | 2013-09-16 | Release date: | 2014-07-02 | Last modified: | 2014-12-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins Febs J., 281, 2014
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8G6R
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![BU of 8g6r by Molmil](/molmil-images/mine/8g6r) | Porcine epidemic diarrhea virus core polymerase complex | Descriptor: | RNA (5'-R(P*AP*AP*GP*AP*AP*GP*CP*UP*AP*UP*UP*AP*AP*AP*AP*UP*CP*AP*CP*A)-3'), RNA (5'-R(P*GP*GP*UP*UP*GP*UP*GP*AP*UP*UP*UP*UP*AP*AP*UP*AP*GP*CP*UP*U)-3'), ZINC ION, ... | Authors: | Anderson, T.K, Kirchdoerfer, R.N. | Deposit date: | 2023-02-15 | Release date: | 2023-03-29 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | An alphacoronavirus polymerase structure reveals conserved co-factor functions. Biorxiv, 2023
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1G99
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![BU of 1g99 by Molmil](/molmil-images/mine/1g99) | AN ANCIENT ENZYME: ACETATE KINASE FROM METHANOSARCINA THERMOPHILA | Descriptor: | ACETATE KINASE, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Buss, K.A, Cooper, D.R, Ingram-Smith, C, Ferry, J.G, Sanders, D.A, Hasson, M.S. | Deposit date: | 2000-11-22 | Release date: | 2000-12-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Urkinase: structure of acetate kinase, a member of the ASKHA superfamily of phosphotransferases. J.Bacteriol., 183, 2001
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3FJ4
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![BU of 3fj4 by Molmil](/molmil-images/mine/3fj4) | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-12-14 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3BQB
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![BU of 3bqb by Molmil](/molmil-images/mine/3bqb) | Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein | Authors: | Barends, T.M, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | Deposit date: | 2007-12-20 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily J.Mol.Biol., 379, 2008
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1EF9
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![BU of 1ef9 by Molmil](/molmil-images/mine/1ef9) | THE CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE COMPLEXED WITH 2S-CARBOXYPROPYL COA | Descriptor: | 2-CARBOXYPROPYL-COENZYME A, METHYLMALONYL COA DECARBOXYLASE | Authors: | Benning, M.M, Haller, T, Gerlt, J.A, Holden, H.M. | Deposit date: | 2000-02-07 | Release date: | 2000-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | New reactions in the crotonase superfamily: structure of methylmalonyl CoA decarboxylase from Escherichia coli. Biochemistry, 39, 2000
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3DGB
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![BU of 3dgb by Molmil](/molmil-images/mine/3dgb) | Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-06-13 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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3DG3
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![BU of 3dg3 by Molmil](/molmil-images/mine/3dg3) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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2OQY
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![BU of 2oqy by Molmil](/molmil-images/mine/2oqy) | The crystal structure of muconate cycloisomerase from Oceanobacillus iheyensis | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Toro, R, Fedorov, E.V, Bonanno, J, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-02-01 | Release date: | 2007-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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3DG7
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![BU of 3dg7 by Molmil](/molmil-images/mine/3dg7) | Crystal structure of muconate lactonizing enzyme from Mucobacterium Smegmatis complexed with muconolactone | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-06-12 | Release date: | 2009-03-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes Biochemistry, 48, 2009
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2GOO
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![BU of 2goo by Molmil](/molmil-images/mine/2goo) | Ternary Complex of BMP-2 bound to BMPR-Ia-ECD and ActRII-ECD | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Activin receptor type 2A, Bone morphogenetic protein 2, ... | Authors: | Allendorph, G.P, Choe, S. | Deposit date: | 2006-04-13 | Release date: | 2006-05-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the ternary signaling complex of a TGF-beta superfamily member. Proc.Natl.Acad.Sci.Usa, 103, 2006
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1FYU
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![BU of 1fyu by Molmil](/molmil-images/mine/1fyu) | |
3ES8
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![BU of 3es8 by Molmil](/molmil-images/mine/3es8) | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-04 | Release date: | 2008-10-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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3ES7
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![BU of 3es7 by Molmil](/molmil-images/mine/3es7) | Crystal structure of divergent enolase from Oceanobacillus Iheyensis complexed with Mg and L-malate. | Descriptor: | (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Muconate cycloisomerase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-10-04 | Release date: | 2008-10-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
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2HXT
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![BU of 2hxt by Molmil](/molmil-images/mine/2hxt) | Crystal structure of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and D-erythronohydroxamate | Descriptor: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, L-fuconate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | Deposit date: | 2006-08-03 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris. Biochemistry, 45, 2006
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3H30
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![BU of 3h30 by Molmil](/molmil-images/mine/3h30) | Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | Descriptor: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Raaf, J, Issinger, O.-G. | Deposit date: | 2009-04-15 | Release date: | 2009-05-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The CK2alpha/CK2beta Interface of Human Protein Kinase CK2 Harbors a Binding Pocket for Small Molecules Chem.Biol., 15, 2008
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7ORW
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![BU of 7orw by Molmil](/molmil-images/mine/7orw) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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7ORU
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![BU of 7oru by Molmil](/molmil-images/mine/7oru) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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7ORV
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![BU of 7orv by Molmil](/molmil-images/mine/7orv) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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7ORR
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![BU of 7orr by Molmil](/molmil-images/mine/7orr) | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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