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PDB: 44 results

3MSL
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BU of 3msl by Molmil
Fragment Based Discovery and Optimisation of BACE-1 Inhibitors
Descriptor: (3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide, Beta-secretase 1, IODIDE ION
Authors:Smith, M, Madden, J, Barker, J.
Deposit date:2010-04-29
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Smith, M, Rosenow, M, Wang, M, Allen, J.P, Szostak, J.W, Chaput, J.C.
Deposit date:2007-02-28
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, PENTAETHYLENE GLYCOL, ...
Authors:Smith, M, Rosenow, M, Wang, M, Allen, J.P, Szostak, J.W, Chaput, J.C.
Deposit date:2007-02-28
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the evolution of a non-biological protein: importance of surface residues in protein fold optimization.
PLoS ONE, 2, 2007
6AMG
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BU of 6amg by Molmil
cyt P460 of Nitrosomonas sp. AL212
Descriptor: Cytochrome P460, HEME C
Authors:Smith, M, Lancaster, K.
Deposit date:2017-08-09
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Eponymous Cofactors in Cytochrome P460s from Ammonia-Oxidizing Bacteria Are Iron Porphyrinoids Whose Macrocycles Are Dibasic.
Biochemistry, 57, 2018
6E0Y
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BU of 6e0y by Molmil
A131Q mutant of cyt P460 of Nitrosomonas sp. AL212 with bound NH2OH
Descriptor: Cytochrome P460, HEME C, HYDROXYAMINE
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-07
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.257 Å)
Cite: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
Descriptor: Cytochrome P460, HEME C
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-07
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
6E17
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BU of 6e17 by Molmil
A131E mutant of cyt P460 of Nitrosomonas sp. AL212 with NO bound
Descriptor: Cytochrome P460, HEME C, NITRIC OXIDE
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-09
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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
Descriptor: Cytochrome P460, HEME C
Authors:Smith, M, Lancaster, K.
Deposit date:2018-07-07
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460.
Chem Sci, 10, 2019
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
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ...
Authors: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)
Deposit date:2013-03-28
Release date:2013-05-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
6UNT
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BU of 6unt by Molmil
Barrier-to-autointegration factor soaked in DMSO: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-13
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URE
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BU of 6ure by Molmil
Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-23
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URK
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BU of 6urk by Molmil
Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-23
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USD
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BU of 6usd by Molmil
Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-25
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URJ
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BU of 6urj by Molmil
Barrier-to-autointegration factor soaked in Acetone: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-23
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USB
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BU of 6usb by Molmil
Barrier-to-autointegration factor soaked in urea: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-25
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US1
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BU of 6us1 by Molmil
Barrier-to-autointegration factor soaked in isobutanol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US7
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BU of 6us7 by Molmil
Barrier-to-autointegration factor soaked in TMAO: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URL
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BU of 6url by Molmil
Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-23
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URR
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BU of 6urr by Molmil
Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6USI
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BU of 6usi by Molmil
Barrier-to-autointegration factor soaked in 1,6-hexanediol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-26
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URZ
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BU of 6urz by Molmil
Barrier-to-autointegration factor soaked in methanol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL, METHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6URN
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BU of 6urn by Molmil
Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-23
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6US0
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BU of 6us0 by Molmil
Barrier-to-autointegration factor soaked in R,S,R-bisfuranol (RSR): 1 of 14 in MSCS set
Descriptor: Barrier-to-autointegration factor, ETHANOL
Authors:Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
Deposit date:2019-10-24
Release date:2020-10-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
1PIH
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BU of 1pih by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
Descriptor: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
Authors:Banci, L, Bertini, I, Eltis, L.D, Felli, I, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
Deposit date:1994-08-03
Release date:1994-12-20
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994
1PIJ
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BU of 1pij by Molmil
THE THREE DIMENSIONAL STRUCTURE OF THE PARAMAGNETIC PROTEIN HIPIP I FROM E.HALOPHILA THROUGH NUCLEAR MAGNETIC RESONANCE
Descriptor: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
Authors:Banci, L, Bertini, I, Eltis, L.D, Felli, I.C, Kastrau, D.H.W, Luchinat, C, Piccioli, M, Pierattelli, R, Smith, M.
Deposit date:1994-11-11
Release date:1995-02-07
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance.
Eur.J.Biochem., 225, 1994

 

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