1B5N
| NMR STRUCTURE OF PSP1, PLASMATOCYTE-SPREADING PEPTIDE FROM PSEUDOPLUSIA INCLUDENS | 分子名称: | PROTEIN (PLASMATOCYTE-SPREADING PEPTIDE) | 著者 | Volkman, B.F, Clark, K.D, Anderson, M.E, Pech, L.L, Markley, J.L, Strand, M.R. | 登録日 | 1999-01-07 | 公開日 | 1999-01-13 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of the insect cytokine peptide plasmatocyte-spreading peptide 1 from Pseudoplusia includens. J.Biol.Chem., 274, 1999
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1Y2X
| Crystal structure of the tetragonal form of the common edible mushroom (Agaricus bisporus) lectin in complex with T-antigen and N-acetylglucosamine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SERINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | 著者 | Carrizo, M.E, Capaldi, S, Perduca, M, Irazoqui, F.J, Nores, G.A, Monaco, H.L. | 登録日 | 2004-11-23 | 公開日 | 2004-12-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | The Antineoplastic Lectin of the Common Edible Mushroom (Agaricus bisporus) Has Two Binding Sites, Each Specific for a Different Configuration at a Single Epimeric Hydroxyl J.Biol.Chem., 280, 2005
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5QE8
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000127a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | 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. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.813 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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7LOG
| T4 lysozyme mutant L99A in complex with 3-butylpyridine | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-butylpyridine, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-02-10 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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5G1Z
| Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1) | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | 登録日 | 2016-04-06 | 公開日 | 2017-02-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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1KLZ
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5GAQ
| Cryo-EM structure of the Lysenin Pore | 分子名称: | Lysenin | 著者 | Savva, C.G, Bokori-Brown, M, Martin, T.G, Titball, R.W, Naylor, C.E, Basak, A.K. | 登録日 | 2016-01-05 | 公開日 | 2016-04-06 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Cryo-EM structure of lysenin pore elucidates membrane insertion by an aerolysin family protein Nat Commun, 7, 2016
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5QFF
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000515a | 分子名称: | 1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | 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. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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2I5B
| The crystal structure of an ADP complex of Bacillus subtilis pyridoxal kinase provides evidence for the parralel emergence of enzyme activity during evolution | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphomethylpyrimidine kinase | 著者 | Newman, J.A, Das, S.K, Sedelnikova, S.E, Rice, D.W. | 登録日 | 2006-08-24 | 公開日 | 2006-09-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Crystal Structure of an ADP Complex of Bacillus subtilis Pyridoxal Kinase Provides Evidence for the Parallel Emergence of Enzyme Activity During Evolution. J.Mol.Biol., 363, 2006
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1BCG
| SCORPION TOXIN BJXTR-IT | 分子名称: | TOXIN BJXTR-IT | 著者 | Oren, D, Froy, O, Amit, E, Kleinberger-Doron, N, Gurevitz, M, Shaanan, B. | 登録日 | 1998-04-29 | 公開日 | 1998-11-18 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An excitatory scorpion toxin with a distinctive feature: an additional alpha helix at the C terminus and its implications for interaction with insect sodium channels. Structure, 6, 1998
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7LH3
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5QI1
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000474a | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | 著者 | 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. | 登録日 | 2018-05-21 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QHX
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000278a | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | 著者 | 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. | 登録日 | 2018-05-21 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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1TR5
| Room temperature structure of Staphylococcal nuclease variant truncated Delta+PHS I92E | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Nguyen, D.M, Leila Reynald, R, Gittis, A.G, Lattman, E.E. | 登録日 | 2004-06-20 | 公開日 | 2004-07-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | X-ray and thermodynamic studies of staphylococcal nuclease variants I92E and I92K: insights into polarity of the protein interior J.Mol.Biol., 341, 2004
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5QIR
| Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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1KV8
| Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase | 分子名称: | 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, MAGNESIUM ION, PHOSPHATE ION | 著者 | Wise, E, Yew, W.S, Babbitt, P.C, Gerlt, J.A, Rayment, I. | 登録日 | 2002-01-25 | 公開日 | 2002-04-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Homologous (beta/alpha)8-barrel enzymes that catalyze unrelated reactions: orotidine 5'-monophosphate decarboxylase and 3-keto-L-gulonate 6-phosphate decarboxylase. Biochemistry, 41, 2002
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5QJ8
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2856434829 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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1Y5W
| tRNA-guanine Transglycosylase (TGT) in complex with 6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | 著者 | Stengl, B, Meyer, E.A, Heine, A, Brenk, R, Diederich, F, Klebe, G. | 登録日 | 2004-12-03 | 公開日 | 2005-12-13 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystal structures of tRNA-guanine transglycosylase (TGT) in complex with novel and potent inhibitors unravel pronounced induced-fit adaptations and suggest dimer formation upon substrate binding J.Mol.Biol., 370, 2007
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5QJA
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1497321453 | 分子名称: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone, 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QJT
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z969560582 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QK5
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1267773786 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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6X4G
| Crystal structure of ICOS in complex with ICOS-L and an anti ICOS-L VNAR domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ICOS ligand, ... | 著者 | Rujas, E, Sicard, T, Julien, J.P. | 登録日 | 2020-05-22 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies. Nat Commun, 11, 2020
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5QJQ
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z56791867 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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7LXA
| T4 lysozyme mutant L99A | 分子名称: | (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | 登録日 | 2021-03-03 | 公開日 | 2021-08-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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5QK9
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z102895082 | 分子名称: | 1,2-ETHANEDIOL, 7,8-dimethoxyphthalazin-1(2H)-one, ADP-sugar pyrophosphatase, ... | 著者 | 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. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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