2OBA
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![BU of 2oba by Molmil](/molmil-images/mine/2oba) | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase | Descriptor: | Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION | Authors: | McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase TO BE PUBLISHED
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4AKS
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![BU of 4aks by Molmil](/molmil-images/mine/4aks) | PatG macrocyclase domain | Descriptor: | THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | Deposit date: | 2012-02-28 | Release date: | 2012-07-18 | Last modified: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain. Nat.Struct.Mol.Biol., 19, 2012
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6CEU
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![BU of 6ceu by Molmil](/molmil-images/mine/6ceu) | MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ... | Authors: | Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-12 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Structural analyses reveal that MBD3 is a methylated CG binder. Febs J., 286, 2019
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6CF8
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![BU of 6cf8 by Molmil](/molmil-images/mine/6cf8) | |
2NY7
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![BU of 2ny7 by Molmil](/molmil-images/mine/2ny7) | HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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4PJA
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![BU of 4pja by Molmil](/molmil-images/mine/4pja) | Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-05-12 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
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4PJ8
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![BU of 4pj8 by Molmil](/molmil-images/mine/4pj8) | Structure of human MR1-5-OP-RU in complex with human MAIT TRBV20 TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-05-12 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
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4PJF
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7E30
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![BU of 7e30 by Molmil](/molmil-images/mine/7e30) | Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, SULFATE ION, ... | Authors: | Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. | Deposit date: | 2021-02-07 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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5UYY
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![BU of 5uyy by Molmil](/molmil-images/mine/5uyy) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | Descriptor: | Prephenate dehydrogenase, TYROSINE | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-24 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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2O18
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![BU of 2o18 by Molmil](/molmil-images/mine/2o18) | Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559 | Descriptor: | CALCIUM ION, Thiamine biosynthesis lipoprotein apbE | Authors: | Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-28 | Release date: | 2006-12-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a Thiamine biosynthesis lipoprotein apbE To be Published
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4DLO
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![BU of 4dlo by Molmil](/molmil-images/mine/4dlo) | Crystal structure of the GAIN and HormR domains of brain angiogenesis inhibitor 3 (BAI3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brain-specific angiogenesis inhibitor 3, ... | Authors: | Arac, D, Boucard, A.A, Bolliger, M.F, Nguyen, J, Soltis, M, Sudhof, T.C, Brunger, A.T. | Deposit date: | 2012-02-06 | Release date: | 2012-02-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel evolutionarily conserved domain of cell-adhesion GPCRs mediates autoproteolysis. Embo J., 31, 2012
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3INV
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![BU of 3inv by Molmil](/molmil-images/mine/3inv) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE | Descriptor: | 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-13 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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4PN6
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![BU of 4pn6 by Molmil](/molmil-images/mine/4pn6) | Structure of the Cytomegalovirus-Encoded m04 Glycoprotein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, M04, ... | Authors: | Berry, R, Rossjohn, J. | Deposit date: | 2014-05-23 | Release date: | 2014-07-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Structure of the Cytomegalovirus-Encoded m04 Glycoprotein, a Prototypical Member of the m02 Family of Immunoevasins. J.Biol.Chem., 289, 2014
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7E31
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![BU of 7e31 by Molmil](/molmil-images/mine/7e31) | Crystal structure of a novel alpha/beta hydrolase mutant in apo form | Descriptor: | TRIETHYLENE GLYCOL, alpha/beta hydrolase | Authors: | Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. | Deposit date: | 2021-02-07 | Release date: | 2022-02-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
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2GP4
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![BU of 2gp4 by Molmil](/molmil-images/mine/2gp4) | |
3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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2O9P
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![BU of 2o9p by Molmil](/molmil-images/mine/2o9p) | beta-glucosidase B from Paenibacillus polymyxa | Descriptor: | Beta-glucosidase B | Authors: | Isorna, P, Polaina, J, Sanz-Aparicio, J. | Deposit date: | 2006-12-14 | Release date: | 2007-10-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Paenibacillus polymyxa beta-Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights into the Catalytic Machinery of Family I Glycosidases J.Mol.Biol., 371, 2007
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2OA5
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![BU of 2oa5 by Molmil](/molmil-images/mine/2oa5) | Crystal structure of ORF52 from Murid herpesvirus (MUHV-4) (Murine gammaherpesvirus 68) at 2.1 A resolution. Northeast Structural Genomics Consortium target MHR28B. | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Hypothetical protein BQLF2 | Authors: | Benach, J, Chen, Y, Seetharaman, J, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Ho, C.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-12-14 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional studies of the abundant tegument protein ORF52 from murine gammaherpesvirus 68. J.Biol.Chem., 282, 2007
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3V0C
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![BU of 3v0c by Molmil](/molmil-images/mine/3v0c) | 4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F) | Descriptor: | BoNT/A, ZINC ION | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | Deposit date: | 2011-12-07 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.3 Å) | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex. Science, 335, 2012
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5ZML
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![BU of 5zml by Molmil](/molmil-images/mine/5zml) | Stapled-peptides tailored against initiation of translation | Descriptor: | 1,2-ETHANEDIOL, ACE-LYS-LYS-ARG-TYR-SER-ARG-MK8-GLN-LEU-LEU-MK8-PHE-ARG-ARG, Eukaryotic translation initiation factor 4E, ... | Authors: | Lama, D, Liberator, A, Frosi, Y, Nakhle, J, Tsomia, N, Bashir, T, Lane, D.P, Brown, C.J, Verma, C.S, Auvin, S, Yano, J. | Deposit date: | 2018-04-04 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein. Chem Sci, 10, 2019
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6D2B
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![BU of 6d2b by Molmil](/molmil-images/mine/6d2b) | HLA-B*57:01 presenting LSDSTARDVTW | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | Authors: | Vivian, J.P, Rossjohn, J. | Deposit date: | 2018-04-13 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands. Sci Immunol, 3, 2018
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1HF2
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![BU of 1hf2 by Molmil](/molmil-images/mine/1hf2) | |
6CC8
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![BU of 6cc8 by Molmil](/molmil-images/mine/6cc8) | Crystal structure MBD3 MBD domain in complex with methylated CpG DNA | Descriptor: | Methyl-CpG-binding domain protein 3, UNKNOWN ATOM OR ION, methylated CpG DNA | Authors: | Liu, K, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-06 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural analyses reveal that MBD3 is a methylated CG binder. Febs J., 286, 2019
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4PJ7
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![BU of 4pj7 by Molmil](/molmil-images/mine/4pj7) | Structure of human MR1-5-OP-RU in complex with human MAIT TRBV6-4 TCR | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | Authors: | Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2014-05-12 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med., 211, 2014
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