6ZKY
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![BU of 6zky by Molmil](/molmil-images/mine/6zky) | Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C) | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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2E9A
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![BU of 2e9a by Molmil](/molmil-images/mine/2e9a) | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628 | Descriptor: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | Authors: | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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6ZKX
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![BU of 6zkx by Molmil](/molmil-images/mine/6zkx) | Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6ZKZ
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![BU of 6zkz by Molmil](/molmil-images/mine/6zkz) | Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6ZKW
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![BU of 6zkw by Molmil](/molmil-images/mine/6zkw) | Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61) | Descriptor: | Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ... | Authors: | Srikannathasan, V, Karuppiah, V, Robinson, R.A. | Deposit date: | 2020-06-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition. Eur.J.Immunol., 52, 2022
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6C9Q
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![BU of 6c9q by Molmil](/molmil-images/mine/6c9q) | |
6ZH0
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![BU of 6zh0 by Molmil](/molmil-images/mine/6zh0) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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4Y8Y
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1KW0
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![BU of 1kw0 by Molmil](/molmil-images/mine/1kw0) | Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ... | Authors: | Andersen, O.A, Flatmark, T, Hough, E. | Deposit date: | 2002-01-28 | Release date: | 2003-01-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Ternary Complex of the Catalytic
Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin
and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism
of Catalysis and Substrate Activation J.Mol.Biol., 320, 2002
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6ZMC
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![BU of 6zmc by Molmil](/molmil-images/mine/6zmc) | Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ... | Authors: | Carpentier, P, Atta, M. | Deposit date: | 2020-07-02 | Release date: | 2020-09-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction. Nucleic Acids Res., 48, 2020
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8BM6
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![BU of 8bm6 by Molmil](/molmil-images/mine/8bm6) | |
1KCF
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![BU of 1kcf by Molmil](/molmil-images/mine/1kcf) | Crystal Structure of the Yeast Mitochondrial Holliday Junction Resolvase, Ydc2 | Descriptor: | HYPOTHETICAL 30.2 KD PROTEIN C25G10.02 IN CHROMOSOME I, SULFATE ION | Authors: | Ceschini, S, Keeley, A, McAlister, M.S.B, Oram, M, Phelan, J, Pearl, L.H, Tsaneva, I.R, Barrett, T.E. | Deposit date: | 2001-11-08 | Release date: | 2001-11-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the fission yeast mitochondrial Holliday junction resolvase Ydc2. EMBO J., 20, 2001
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8BM7
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6C9N
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![BU of 6c9n by Molmil](/molmil-images/mine/6c9n) | |
5FRM
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![BU of 5frm by Molmil](/molmil-images/mine/5frm) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ... | Authors: | Maskell, D.P, Pye, V.E, Cherepanov, P. | Deposit date: | 2015-12-18 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases. Acs Chem.Biol., 11, 2016
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1KCM
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![BU of 1kcm by Molmil](/molmil-images/mine/1kcm) | Crystal Structure of Mouse PITP Alpha Void of Bound Phospholipid at 2.0 Angstroms Resolution | Descriptor: | Phosphatidylinositol Transfer Protein alpha | Authors: | Schouten, A, Agianian, B, Westerman, J, Kroon, J, Wirtz, K.W.A, Gros, P. | Deposit date: | 2001-11-09 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of apo-phosphatidylinositol transfer protein alpha provides insight into membrane association. EMBO J., 21, 2002
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2E95
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![BU of 2e95 by Molmil](/molmil-images/mine/2e95) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675 | Descriptor: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E94
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![BU of 2e94 by Molmil](/molmil-images/mine/2e94) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364 | Descriptor: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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1KEQ
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![BU of 1keq by Molmil](/molmil-images/mine/1keq) | Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole | Descriptor: | 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ... | Authors: | Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W. | Deposit date: | 2001-11-16 | Release date: | 2002-03-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle. Biochemistry, 41, 2002
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5CF4
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![BU of 5cf4 by Molmil](/molmil-images/mine/5cf4) | CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE | Descriptor: | N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Sack, J.S. | Deposit date: | 2015-07-08 | Release date: | 2015-08-26 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. Acs Med.Chem.Lett., 6, 2015
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2AOU
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![BU of 2aou by Molmil](/molmil-images/mine/2aou) | Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine | Descriptor: | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, Histamine N-methyltransferase | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Cheng, X. | Deposit date: | 2005-08-14 | Release date: | 2005-09-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for inhibition of histamine N-methyltransferase by diverse drugs J.Mol.Biol., 353, 2005
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1KGI
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![BU of 1kgi by Molmil](/molmil-images/mine/1kgi) | Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac) | Descriptor: | 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | Deposit date: | 2001-11-27 | Release date: | 2002-11-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution. Acta Biochim.Pol., 48, 2001
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8BE7
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![BU of 8be7 by Molmil](/molmil-images/mine/8be7) | |
8BE6
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![BU of 8be6 by Molmil](/molmil-images/mine/8be6) | Crystal structure of SOS1-HRas-peptidomimetic2 | Descriptor: | GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1 | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.89880252 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BE8
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![BU of 8be8 by Molmil](/molmil-images/mine/8be8) | Crystal structure of SOS1-HRas-peptidomimetic4 | Descriptor: | FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ... | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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