4LZC
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![BU of 4lzc by Molmil](/molmil-images/mine/4lzc) | W325F Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | Deposit date: | 2013-07-31 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.457 Å) | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Biochemistry, 53, 2014
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4HNX
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![BU of 4hnx by Molmil](/molmil-images/mine/4hnx) | The NatA Acetyltransferase Complex Bound To ppGpp | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1 | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.339 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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3BQU
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![BU of 3bqu by Molmil](/molmil-images/mine/3bqu) | Crystal Structure of the 2F5 Fab'-3H6 Fab Complex | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, 3H6 Fab heavy chain, ... | Authors: | Bryson, S, Julien, J.-P, Isenman, D.E, Kunert, R, Katinger, H, Pai, E.F. | Deposit date: | 2007-12-20 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the complex between the F(ab)' fragment of the cross-neutralizing anti-HIV-1 antibody 2F5 and the F(ab) fragment of its anti-idiotypic antibody 3H6. J.Mol.Biol., 382, 2008
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3C3T
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![BU of 3c3t by Molmil](/molmil-images/mine/3c3t) | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | Deposit date: | 2008-01-28 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase. Biochemistry, 47, 2008
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7KXB
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![BU of 7kxb by Molmil](/molmil-images/mine/7kxb) | Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 | Descriptor: | BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ... | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-12-03 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG1
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![BU of 7kg1 by Molmil](/molmil-images/mine/7kg1) | Structure of human PARG complexed with PARG-002 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KFP
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![BU of 7kfp by Molmil](/molmil-images/mine/7kfp) | Structure of human PARG complexed with PARG-119 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide, ... | Authors: | Brosey, C.A, Bommagani, S, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-14 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG7
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![BU of 7kg7 by Molmil](/molmil-images/mine/7kg7) | Structure of human PARG complexed with PARG-292 | Descriptor: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG0
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![BU of 7kg0 by Molmil](/molmil-images/mine/7kg0) | Structure of human PARG complexed with PARG-131 | Descriptor: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG6
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![BU of 7kg6 by Molmil](/molmil-images/mine/7kg6) | Structure of human PARG complexed with PARG-322 | Descriptor: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG8
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![BU of 7kg8 by Molmil](/molmil-images/mine/7kg8) | Structure of human PARG complexed with PARG-061 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7L1Y
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![BU of 7l1y by Molmil](/molmil-images/mine/7l1y) | Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex | Descriptor: | 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E. | Deposit date: | 2020-12-15 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium. Biotechnol.Bioeng., 118, 2021
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7L1W
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![BU of 7l1w by Molmil](/molmil-images/mine/7l1w) | Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Exo-B-1,4-beta-xylanase | Authors: | Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E. | Deposit date: | 2020-12-15 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium. Biotechnol.Bioeng., 118, 2021
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7L1Z
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![BU of 7l1z by Molmil](/molmil-images/mine/7l1z) | Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium - NT-truncated form | Descriptor: | 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, SULFATE ION | Authors: | Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E. | Deposit date: | 2020-12-15 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium. Biotechnol.Bioeng., 118, 2021
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4B2L
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![BU of 4b2l by Molmil](/molmil-images/mine/4b2l) | Humanised monomeric RadA in complex with L-methylester tryptophan | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-16 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4BBY
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![BU of 4bby by Molmil](/molmil-images/mine/4bby) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: WILD-TYPE | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AG7
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![BU of 4ag7 by Molmil](/molmil-images/mine/4ag7) | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct | Descriptor: | COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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4AUT
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![BU of 4aut by Molmil](/molmil-images/mine/4aut) | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | Descriptor: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | Deposit date: | 2012-05-21 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis. Sci. Transl. Med., 4, 2012
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4B34
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![BU of 4b34 by Molmil](/molmil-images/mine/4b34) | Humanised monomeric RadA in complex with 2-amino benzothiazole | Descriptor: | 1,3-benzothiazol-2-amine, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B33
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![BU of 4b33 by Molmil](/molmil-images/mine/4b33) | Humanised monomeric RadA in complex with napht-2-ol | Descriptor: | 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-20 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4AQC
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![BU of 4aqc by Molmil](/molmil-images/mine/4aqc) | Triazolopyridine-based Inhibitor of Janus Kinase 2 | Descriptor: | 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine, SULFATE ION, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Dugan, B.J, Gingrich, D.E, Mesaros, E.F, Milkiewicz, K.L, Curry, M.A, Zulli, A.L, Dobrzanski, P, Serdikoff, C, Jan, M, Angeles, T.S, Albom, M.S, Mason, J.L, Aimone, L.D, Meyer, S.L, Huang, Z, Wells-Knecht, K.J, Ator, M.A, Ruggeri, B.A, Dorsey, B.D. | Deposit date: | 2012-04-16 | Release date: | 2012-04-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-A]Pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of Cep-33779. J.Med.Chem., 55, 2012
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7LG7
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![BU of 7lg7 by Molmil](/molmil-images/mine/7lg7) | Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 | Descriptor: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2021-01-19 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7M05
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![BU of 7m05 by Molmil](/molmil-images/mine/7m05) | |
4BCA
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![BU of 4bca by Molmil](/molmil-images/mine/4bca) | MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ... | Authors: | Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A. | Deposit date: | 2012-10-01 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4B3D
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![BU of 4b3d by Molmil](/molmil-images/mine/4b3d) | Humanised monomeric RadA in complex with 5-methyl indole | Descriptor: | 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | Deposit date: | 2012-07-23 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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