3V4D
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![BU of 3v4d by Molmil](/molmil-images/mine/3v4d) | Crystal structure of RutC protein a member of the YjgF family from E.coli | Descriptor: | Aminoacrylate peracid reductase RutC | Authors: | Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of Escherichia coli RutC, a member of the YjgF family and putative aminoacrylate peracid reductase of the rut operon. Acta Crystallogr.,Sect.F, 68, 2012
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1P46
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![BU of 1p46 by Molmil](/molmil-images/mine/1p46) | T4 lysozyme core repacking mutant M106I/TA | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... | Authors: | Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. | Deposit date: | 2003-04-21 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
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6MVE
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![BU of 6mve by Molmil](/molmil-images/mine/6mve) | Reduced X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP, ATP, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N. | Deposit date: | 2018-10-25 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Convergent allostery in ribonucleotide reductase. Nat Commun, 10, 2019
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1U7J
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![BU of 1u7j by Molmil](/molmil-images/mine/1u7j) | Solution structure of a diiron protein model | Descriptor: | Four-helix bundle model, ZINC ION | Authors: | Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A. | Deposit date: | 2004-08-04 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Analysis and Design of Turns in alpha-Helical Hairpins J.Mol.Biol., 346, 2005
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6MKI
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![BU of 6mki by Molmil](/molmil-images/mine/6mki) | Crystal structure of penicillin-binding protein 4 (PBP4) from Enterococcus faecalis in the ceftaroline-bound form | Descriptor: | Ceftaroline, bound form, GLYCEROL, ... | Authors: | D'Andrea, E.D, Moon, T.M, Peti, W, Page, R. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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5MTP
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![BU of 5mtp by Molmil](/molmil-images/mine/5mtp) | Crystal structure of M. tuberculosis InhA inhibited by PT514 | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | Deposit date: | 2017-01-10 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
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3UYL
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![BU of 3uyl by Molmil](/molmil-images/mine/3uyl) | Spinosyn Rhamnosyltransferase SpnG complexed with thymidine diphosphate | Descriptor: | MAGNESIUM ION, NDP-rhamnosyltransferase, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Isiorho, E.A, Liu, H.-W, Keatinge-Clay, A.T. | Deposit date: | 2011-12-06 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Studies of the Spinosyn Rhamnosyltransferase, SpnG. Biochemistry, 51, 2012
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1PWZ
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![BU of 1pwz by Molmil](/molmil-images/mine/1pwz) | Crystal structure of the haloalcohol dehalogenase HheC complexed with (R)-styrene oxide and chloride | Descriptor: | CHLORIDE ION, R-STYRENE OXIDE, halohydrin dehalogenase | Authors: | de Jong, R.M, Tiesinga, J.J.W, Rozeboom, H.J, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2003-07-02 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and Mechanism of a Bacterial Haloalcohol Dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site EMBO J., 22, 2003
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6MKJ
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![BU of 6mkj by Molmil](/molmil-images/mine/6mkj) | Crystal structure of penicillin binding protein 5 (PBP5) from Enterococcus faecium in the closed conformation | Descriptor: | penicillin binding protein 5 (PBP5) | Authors: | Moon, T.M, Soares, A, D'Andrea, E.D, Jaconcic, J, Peti, W, Page, R. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.864 Å) | Cite: | The structures of penicillin-binding protein 4 (PBP4) and PBP5 fromEnterococciprovide structural insights into beta-lactam resistance. J. Biol. Chem., 293, 2018
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4G5S
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![BU of 4g5s by Molmil](/molmil-images/mine/4g5s) | Structure of LGN GL3/Galphai3 complex | Descriptor: | CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W. | Deposit date: | 2012-07-18 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins To be Published
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6I5E
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![BU of 6i5e by Molmil](/molmil-images/mine/6i5e) | X-ray structure of apo human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD) | Descriptor: | Bifunctional epoxide hydrolase 2 | Authors: | Abis, G, Kopec, J, Yue, W.W, Conte, M.R. | Deposit date: | 2018-11-13 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism. Commun Biol, 2, 2019
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4G73
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![BU of 4g73 by Molmil](/molmil-images/mine/4g73) | Crystal structure of NDH with NADH and Quinone | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | Deposit date: | 2012-07-19 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.522 Å) | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases. Nature, 491, 2012
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6O0R
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![BU of 6o0r by Molmil](/molmil-images/mine/6o0r) | Crystal structure of the TIR domain from human SARM1 in complex with glycerol | Descriptor: | GLYCEROL, Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6I4X
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![BU of 6i4x by Molmil](/molmil-images/mine/6i4x) | Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | Authors: | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | Deposit date: | 2018-11-12 | Release date: | 2019-05-29 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase. Nat Commun, 10, 2019
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6O0U
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![BU of 6o0u by Molmil](/molmil-images/mine/6o0u) | Crystal structure of the TIR domain H685A mutant from human SARM1 | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6O23
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![BU of 6o23 by Molmil](/molmil-images/mine/6o23) | Crystal structure of 2243 Fab in complex with circumsporozoite protein NANP5 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2243 Fab heavy chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-03-04 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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1PHO
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![BU of 1pho by Molmil](/molmil-images/mine/1pho) | |
6NYL
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![BU of 6nyl by Molmil](/molmil-images/mine/6nyl) | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2c (OA-2c) | Descriptor: | Vacuolating cytotoxin autotransporter | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | Deposit date: | 2019-02-11 | Release date: | 2019-03-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6O0M
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![BU of 6o0m by Molmil](/molmil-images/mine/6o0m) | crystal structure of BCL-2 F104L mutation with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, DI(HYDROXYETHYL)ETHER | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0Q
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![BU of 6o0q by Molmil](/molmil-images/mine/6o0q) | Crystal structure of the TIR domain from human SARM1 in complex with ribose | Descriptor: | CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1, beta-D-ribofuranose | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | Deposit date: | 2019-02-17 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6NYN
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![BU of 6nyn by Molmil](/molmil-images/mine/6nyn) | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2e (OA-2e) | Descriptor: | Vacuolating cytotoxin autotransporter | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | Deposit date: | 2019-02-11 | Release date: | 2019-03-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6O0K
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![BU of 6o0k by Molmil](/molmil-images/mine/6o0k) | crystal structure of BCL-2 with venetoclax | Descriptor: | 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-[(3-nitro-4-{[(oxan-4-yl )methyl]amino}phenyl)sulfonyl]-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide, Apoptosis regulator Bcl-2, NONAETHYLENE GLYCOL | Authors: | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | Deposit date: | 2019-02-16 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O2B
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![BU of 6o2b by Molmil](/molmil-images/mine/6o2b) | Crystal structure of 4493 Fab in complex with circumsporozoite protein DND and anti-kappa VHH domain | Descriptor: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | Authors: | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | Deposit date: | 2019-02-22 | Release date: | 2020-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6KNT
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![BU of 6knt by Molmil](/molmil-images/mine/6knt) | Crystal structure of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis (space group P4332) | Descriptor: | Putative metal-dependent hydrolase, ZINC ION | Authors: | Na, H.W, Namgung, B, Song, W.S, Yoon, S.I. | Deposit date: | 2019-08-07 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical analyses of the metallo-beta-lactamase fold protein YhfI from Bacillus subtilis. Biochem.Biophys.Res.Commun., 519, 2019
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2GZL
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![BU of 2gzl by Molmil](/molmil-images/mine/2gzl) | Structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with a CDP derived fluorescent inhibitor | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]OXY}PHOSPHINATO)OXY]PHOSPHINATO}CYT, GERANYL DIPHOSPHATE, ... | Authors: | Crane, C.M, Kaiser, J, Ramsden, N.L, Lauw, S, Rohdich, F, Wolfgang, E, Hunter, W.N, Bacher, A, Diederich, F. | Deposit date: | 2006-05-11 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fluorescent Inhibitors for Ispf, an Enzyme in the Non-Mevalonate Pathway for Isoprenoid Biosynthesis and a Potential Target for Antimalarial Therapy. Angew.Chem.Int.Ed.Engl., 45, 2006
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