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3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
Descriptor: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: HEXANE-1,6-DIOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Ribonuclease pancreatic, trimethylamine oxide
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
5HQ3
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BU of 5hq3 by Molmil
Stable, high-expression variant of human acetylcholinesterase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetylcholinesterase, O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
Authors:Goldenzweig, A, Goldsmith, M, Hill, S.E, Gertman, O, Laurino, P, Ashani, Y, Dym, O, Albeck, S, Unger, T, Prilusky, J, Lieberman, R.L, Aharoni, A, Silman, I, Sussman, J.L, Tawfik, D.S, Fleishman, S.J.
Deposit date:2016-01-21
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Automated Structure- and Sequence-Based Design of Proteins for High Bacterial Expression and Stability.
Mol.Cell, 63, 2016
6FFW
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BU of 6ffw by Molmil
Phosphotriesterase PTE_A53_5
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-01-09
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Phosphotriesterase PTE_A53_5
To Be Published
6FQE
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BU of 6fqe by Molmil
Phosphotriesterase PTE_A53_4
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphotriesterase PTE_A53_4
To Be Published
6G1J
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BU of 6g1j by Molmil
Phosphotriesterase PTE_C23M_1
Descriptor: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-21
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phosphotriesterase PTE_C23M_1
To Be Published
6FWE
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BU of 6fwe by Molmil
Phosphotriesterase PTE_C23_6
Descriptor: 1-[methoxy(methyl)phosphoryl]oxyethane, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-06
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.774 Å)
Cite:Phosphotriesterase PTE_C23_6
To Be Published
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-18
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Phosphotriesterase PTE_A53_7
To Be Published
6GBL
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BU of 6gbl by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, FORMIC ACID, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6FU6
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BU of 6fu6 by Molmil
Phosphotriesterase PTE_C23_2
Descriptor: FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-02-26
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphotriesterase PTE_A53_4
To Be Published
6G3M
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BU of 6g3m by Molmil
Phosphotriesterase PTE_C23M_4
Descriptor: 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-03-26
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Phosphotriesterase PTE_C23M_4
To Be Published
6GBJ
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BU of 6gbj by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
Authors:Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
Deposit date:2018-04-15
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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
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
6ZBS
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BU of 6zbs by Molmil
Beta ODAP Synthetase (BOS)
Descriptor: Beta ODAP Synthetase (BOS), DI(HYDROXYETHYL)ETHER, MAGNESIUM ION
Authors:Dym, O.
Deposit date:2020-06-09
Release date:2022-01-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea.
J.Biol.Chem., 298, 2022
6QJZ
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BU of 6qjz by Molmil
Identificationand Characterization of an Oxalylfrom Grass pea (Lathyrus sativusCoA-Synthetase L.)
Descriptor: ADENOSINE MONOPHOSPHATE, oxalyl CoA-synthetase
Authors:Dym, O.
Deposit date:2019-01-28
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The identification and characterization of an oxalyl-CoA synthetase from grass pea ( Lathyrus sativus L.).
Rsc Chem Biol, 3, 2022
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-06
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023

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