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PDB: 60 件
6E0Y
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BU of 6e0y by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212 with bound NH2OH
分子名称: Cytochrome P460, HEME C, HYDROXYAMINE
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6E0Z
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BU of 6e0z by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6AMG
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BU of 6amg by Molmil
cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2017-08-09
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Eponymous Cofactors in Cytochrome P460s from Ammonia-Oxidizing Bacteria Are Iron Porphyrinoids Whose Macrocycles Are Dibasic.
Biochemistry, 57, 2018
6E17
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BU of 6e17 by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound
分子名称: Cytochrome P460, HEME C, NITRIC OXIDE
著者Smith, M, Lancaster, K.
登録日2018-07-09
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6E0X
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BU of 6e0x by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212
分子名称: Cytochrome P460, HEME C
著者Smith, M, Lancaster, K.
登録日2018-07-07
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.974 Å)
主引用文献Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
3MSL
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BU of 3msl by Molmil
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
分子名称: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION
著者Smith, M, Madden, J, Barker, J.
登録日2010-04-29
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based discovery and optimization of BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
2P09
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BU of 2p09 by Molmil
Structural Insights into the Evolution of a Non-Biological Protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
著者Smith, M, Rosenow, M, Wang, M, Allen, J.P, Szostak, J.W, Chaput, J.C.
登録日2007-02-28
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the evolution of a non-biological protein: importance of surface residues in protein fold optimization.
PLoS ONE, 2, 2007
2P05
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BU of 2p05 by Molmil
Structural Insights into the Evolution of a Non-Biological Protein
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
著者Smith, M, Rosenow, M, Wang, M, Allen, J.P, Szostak, J.W, Chaput, J.C.
登録日2007-02-28
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the evolution of a non-biological protein: importance of surface residues in protein fold optimization.
PLoS ONE, 2, 2007
3EV3
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BU of 3ev3 by Molmil
Crystal Structure of Ribonuclease A in 70% t-Butanol
分子名称: Ribonuclease pancreatic, TERTIARY-BUTYL ALCOHOL
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUY
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BU of 3euy by Molmil
Crystal Structure of Ribonuclease A in 50% Dioxane
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV6
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BU of 3ev6 by Molmil
Crystal Structure of Ribonuclease A in 50% R,S,R-Bisfuranol
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
分子名称: Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
分子名称: Ribonuclease pancreatic, TRIFLUOROETHANOL
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV1
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BU of 3ev1 by Molmil
Crystal Structure of Ribonuclease A in 70% Hexanediol
分子名称: HEXANE-1,6-DIOL, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV2
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BU of 3ev2 by Molmil
Crystal Structure of Ribonuclease A in 70% Isopropanol
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV5
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BU of 3ev5 by Molmil
Crystal Structure of Ribonuclease A in 1M Trimethylamine N-Oxide
分子名称: Ribonuclease pancreatic, trimethylamine oxide
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
9CYR
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BU of 9cyr by Molmil
Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K)
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
登録日2024-08-02
公開日2024-08-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYP
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BU of 9cyp by Molmil
Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K)
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
登録日2024-08-02
公開日2024-08-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYO
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BU of 9cyo by Molmil
Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K)
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
登録日2024-08-02
公開日2024-08-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
9CYQ
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BU of 9cyq by Molmil
Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K)
分子名称: BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
著者Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A.
登録日2024-08-02
公開日2024-08-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
8F5W
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BU of 8f5w by Molmil
Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine and NADPH Quasi-Anaerobically
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
登録日2022-11-15
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
8F6N
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BU of 8f6n by Molmil
Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Thymine Quasi-Anaerobically
分子名称: Dihydropyrimidine dehydrogenase [NADP(+)], FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
登録日2022-11-16
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
8F61
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Dihydropyrimidine Dehydrogenase (DPD) C671S Mutant Soaked with Dihydrothymine Quasi-Anaerobically
分子名称: (5S)-5-methyl-1,3-diazinane-2,4-dione, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dihydropyrimidine dehydrogenase [NADP(+)], ...
著者Kaley, N, Smith, M, Forouzesh, D, Liu, D, Moran, G.
登録日2022-11-15
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Mammalian dihydropyrimidine dehydrogenase: Added mechanistic details from transient-state analysis of charge transfer complexes.
Arch.Biochem.Biophys., 736, 2023
4JXI
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BU of 4jxi by Molmil
Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ...
著者Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-28
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published

 

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