1PJG
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![BU of 1pjg by Molmil](/molmil-images/mine/1pjg) | RNA/DNA Hybrid Decamer of CAAAGAAAAG/CTTTTCTTTG | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', CALCIUM ION | Authors: | Kopka, M.L, Lavelle, L, Han, G.W, Ng, H.-L, Dickerson, R.E. | Deposit date: | 2003-06-02 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | An unusual sugar conformation in the structure of an RNA/DNA decamer of the polypurine tract may affect recognition by RNase H. J.Mol.Biol., 334, 2003
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1PJA
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![BU of 1pja by Molmil](/molmil-images/mine/1pja) | The crystal structure of palmitoyl protein thioesterase-2 reveals the basis for divergent substrate specificities of the two lysosomal thioesterases (PPT1 and PPT2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Palmitoyl-protein thioesterase 2 precursor | Authors: | Calero, G, Gupta, P, Nonato, M.C, Tandel, S, Biehl, E.R, Hofmann, S.L, Clardy, J. | Deposit date: | 2003-06-02 | Release date: | 2003-09-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of palmitoyl protein thioesterase-2 (PPT2) reveals the basis for divergent substrate specificities of the two lysosomal thioesterases, PPT1 and PPT2. J.Biol.Chem., 278, 2003
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5QDI
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![BU of 5qdi by Molmil](/molmil-images/mine/5qdi) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000157a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2-phenylethyl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.623 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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1BWM
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![BU of 1bwm by Molmil](/molmil-images/mine/1bwm) | A SINGLE-CHAIN T CELL RECEPTOR | Descriptor: | PROTEIN (ALPHA-BETA T CELL RECEPTOR (TCR) (D10)) | Authors: | Hare, B.J, Wyss, D.F, Reinherz, E.L, Wagner, G. | Deposit date: | 1998-09-23 | Release date: | 1999-07-22 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structure, specificity and CDR mobility of a class II restricted single-chain T-cell receptor. Nat.Struct.Biol., 6, 1999
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1J9T
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![BU of 1j9t by Molmil](/molmil-images/mine/1j9t) | Crystal structure of nitrite soaked reduced H255N AFNIR | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | Authors: | Boulanger, M.J, Murphy, M.E. | Deposit date: | 2001-05-28 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate Biochemistry, 40, 2001
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1W9M
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![BU of 1w9m by Molmil](/molmil-images/mine/1w9m) | AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal | Descriptor: | FE-S-O HYBRID CLUSTER, HYDROXYLAMINE REDUCTASE, IRON/SULFUR CLUSTER | Authors: | Aragao, D, Macedo, S, Mitchell, E.P, Coelho, D, Romao, C.V, Teixeira, M, Lindley, P.F. | Deposit date: | 2004-10-14 | Release date: | 2005-02-04 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Relationships in the Hybrid Cluster Protein Family:Structure of the Anaerobically Purified Hybrid Cluster Protein from Desulfovibrio Vulgaris at 1.35 A Resolution Acta Crystallogr.,Sect.D, 64, 2008
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5WIZ
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![BU of 5wiz by Molmil](/molmil-images/mine/5wiz) | Phosphotriesterase variant S5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | Deposit date: | 2017-07-21 | Release date: | 2019-01-23 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Phosphotriesterase variant S5 To Be Published
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3CJQ
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![BU of 3cjq by Molmil](/molmil-images/mine/3cjq) | Ribosomal protein L11 methyltransferase (PrmA) in complex with dimethylated ribosomal protein L11 in space group P212121 | Descriptor: | 50S ribosomal protein L11, IODIDE ION, N,N-dimethyl-L-methionine, ... | Authors: | Demirci, H, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2008-03-13 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Multiple-Site Trimethylation of Ribosomal Protein L11 by the PrmA Methyltransferase. Structure, 16, 2008
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4CE8
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![BU of 4ce8 by Molmil](/molmil-images/mine/4ce8) | Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | Authors: | Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T. | Deposit date: | 2013-11-10 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium To be Published
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4BQI
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![BU of 4bqi by Molmil](/molmil-images/mine/4bqi) | ARABIDOPSIS THALIANA cytosolic alpha-1,4-glucan phosphorylase (PHS2) in complex with maltotriose | Descriptor: | ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC, DI(HYDROXYETHYL)ETHER, ... | Authors: | O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A. | Deposit date: | 2013-05-30 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials Chem.Sci., 5, 2014
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5QHZ
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![BU of 5qhz by Molmil](/molmil-images/mine/5qhz) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000385a | Descriptor: | 2-cyano-~{N}-cyclohexyl-ethanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5WKX
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![BU of 5wkx by Molmil](/molmil-images/mine/5wkx) | Barium sites in the structure of a resting acid sensing ion channel | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | Authors: | Yoder, N, Gouaux, E. | Deposit date: | 2017-07-25 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.034 Å) | Cite: | Divalent cation and chloride ion sites of chicken acid sensing ion channel 1a elucidated by x-ray crystallography. PLoS ONE, 13, 2018
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1ACI
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![BU of 1aci by Molmil](/molmil-images/mine/1aci) | |
5DF7
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![BU of 5df7 by Molmil](/molmil-images/mine/5df7) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AZLOCILLIN | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}ethyl]-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, Cell division protein, ... | Authors: | Ren, J, Nettleship, J.E, Males, A, Stuart, D.I, Owens, R.J. | Deposit date: | 2015-08-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms. Febs Lett., 590, 2016
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1PJO
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![BU of 1pjo by Molmil](/molmil-images/mine/1pjo) | Crystal Structure of an RNA/DNA hybrid of HIV-1 PPT | Descriptor: | 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3', 5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', MAGNESIUM ION | Authors: | Kopka, M.L, Lavelle, L, Han, G.W, Ng, H.-L, Dickerson, R.E. | Deposit date: | 2003-06-03 | Release date: | 2003-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | An Unusual Sugar Conformation in the Structure of an RNA/DNA
Decamer of the Polypurine Tract May Affect Recognition by RNase H J.Mol.Biol., 334, 2003
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5QJ4
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![BU of 5qj4 by Molmil](/molmil-images/mine/5qj4) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1827602749 | Descriptor: | (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name), 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-11-12 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QJI
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![BU of 5qji by Molmil](/molmil-images/mine/5qji) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1899842917 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QJX
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![BU of 5qjx by Molmil](/molmil-images/mine/5qjx) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2856434778 | Descriptor: | 1,2-ETHANEDIOL, 2-(trifluoromethoxy)benzoic acid, ADP-sugar pyrophosphatase, ... | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | Deposit date: | 2018-10-31 | Release date: | 2018-12-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5Y6E
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![BU of 5y6e by Molmil](/molmil-images/mine/5y6e) | |
5QDU
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![BU of 5qdu by Molmil](/molmil-images/mine/5qdu) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000466a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | Deposit date: | 2018-08-30 | Release date: | 2018-10-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5DGM
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![BU of 5dgm by Molmil](/molmil-images/mine/5dgm) | |
1AC9
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![BU of 1ac9 by Molmil](/molmil-images/mine/1ac9) | SOLUTION STRUCTURE OF A DNA DECAMER CONTAINING THE ANTIVIRAL DRUG GANCICLOVIR: COMBINED USE OF NMR, RESTRAINED MOLECULAR DYNAMICS, AND FULL RELAXATION REFINEMENT, 6 STRUCTURES | Descriptor: | DNA | Authors: | Foti, M, Marshalko, S, Schurter, E, Kumar, S, Beardsley, G.P, Schweitzer, B.I. | Deposit date: | 1997-02-17 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a DNA decamer containing the antiviral drug ganciclovir: combined use of NMR, restrained molecular dynamics, and full relaxation matrix refinement. Biochemistry, 36, 1997
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1PIW
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![BU of 1piw by Molmil](/molmil-images/mine/1piw) | APO AND HOLO STRUCTURES OF AN NADP(H)-DEPENDENT CINNAMYL ALCOHOL DEHYDROGENASE FROM SACCHAROMYCES CEREVISIAE | Descriptor: | Hypothetical zinc-type alcohol dehydrogenase-like protein in PRE5-FET4 intergenic region, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Valencia, E, Larroy, C, Ochoa, W.F, Pares, X, Fita, I, Biosca, J.A. | Deposit date: | 2003-05-30 | Release date: | 2004-08-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Apo and Holo Structures of an NADP(H)-dependent Cinnamyl Alcohol Dehydrogenase from Saccharomyces cerevisiae J.Mol.Biol., 341, 2004
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1J9R
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![BU of 1j9r by Molmil](/molmil-images/mine/1j9r) | Crystal structure of nitrite soaked reduced D98N AFNIR | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | Authors: | Boulanger, M.J, Murphy, M.E. | Deposit date: | 2001-05-28 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate Biochemistry, 40, 2001
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1PL9
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![BU of 1pl9 by Molmil](/molmil-images/mine/1pl9) | Crystal structure of KDO8P synthase in its binary complex with substrate analog Z-FPEP | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, 3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID | Authors: | Vainer, R, Adir, N, Baasov, T, Belakhov, V, Rabkin, E. | Deposit date: | 2003-06-08 | Release date: | 2004-07-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of KDO8P synthase in its binary complex with substrate analog Z-FPEP To be Published
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