2MB5
 
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3KGG
 | | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): Perdeuteration of proteins for neutron diffraction | | Descriptor: | CALCIUM ION, Diisopropyl-fluorophosphatase | | Authors: | Blum, M.-M, Tomanicek, S.J, John, H, Hanson, B.L, terjans, H.R, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | | Deposit date: | 2009-10-29 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structure of perdeuterated diisopropyl fluorophosphatase (DFPase): perdeuteration of proteins for neutron diffraction.
Acta Crystallogr.,Sect.F, 66, 2010
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3BYC
 | | Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H | | Descriptor: | CALCIUM ION, Diisopropyl-fluorophosphatase | | Authors: | Blum, M.-M, Mustyakimov, M, Ruterjans, H, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | | Deposit date: | 2008-01-15 | | Release date: | 2009-01-27 | | Last modified: | 2024-02-21 | | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | Cite: | Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement.
Proc.Natl.Acad.Sci.Usa, 106, 2009
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1CQ2
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2GVE
 | | Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase | | Descriptor: | COBALT (II) ION, Xylose isomerase | | Authors: | Katz, A.K, Li, X, Carrell, H.L, Hanson, B.L, Langan, P, Coates, L, Schoenborn, B.P, Glusker, J.P, Bunick, G.J. | | Deposit date: | 2006-05-02 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1QF0
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-PHE-TYR. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | Descriptor: | (2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | Deposit date: | 1999-04-06 | | Release date: | 1999-12-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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1QF1
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYLHEPTANOYL)-PHE-ALA. PARAMETERS FOR ZN-BIDENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | Deposit date: | 1999-04-06 | | Release date: | 1999-12-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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1QF2
 | | THERMOLYSIN (E.C.3.4.24.27) COMPLEXED WITH (2-SULPHANYL-3-PHENYLPROPANOYL)-GLY-(5-PHENYLPROLINE). PARAMETERS FOR ZN-MONODENTATION OF MERCAPTOACYLDIPEPTIDES IN METALLOENDOPEPTIDASE | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, PROTEIN (THERMOLYSIN), ... | | Authors: | Gaucher, J.-F, Selkti, M, Tiraboschi, G, Prange, T, Roques, B.P, Tomas, A, Fournie-Zaluski, M.C. | | Deposit date: | 1999-04-06 | | Release date: | 1999-12-29 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystal structures of alpha-mercaptoacyldipeptides in the thermolysin active site: structural parameters for a Zn monodentation or bidentation in metalloendopeptidases.
Biochemistry, 38, 1999
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3CWH
 | | D-xylose Isomerase in complex with linear product, per-deuterated xylulose | | Descriptor: | D-XYLULOSE, HYDROXIDE ION, MAGNESIUM ION, ... | | Authors: | Kovalevsky, A.Y, Langan, P, Glusker, J.P. | | Deposit date: | 2008-04-21 | | Release date: | 2008-08-05 | | Last modified: | 2023-08-30 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Hydrogen location in stages of an enzyme-catalyzed reaction: time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
Biochemistry, 47, 2008
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3L45
 | | A Joint Neutron and X-ray structure of Oxidized Amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION | | Authors: | Sukumar, N, Mathews, F.S, Langan, P, Davidson, V.L. | | Deposit date: | 2009-12-18 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer.
Proc.Natl.Acad.Sci.USA, 107, 2010
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2GUB
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2GLK
 | | High-resolution study of D-Xylose isomerase, 0.94A resolution. | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Xylose isomerase | | Authors: | Katz, A.K, Carrell, H.L, Hanson, B.L, Harp, J.M, Glusker, J.P, Bunick, G.J. | | Deposit date: | 2006-04-05 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2TMN
 | | CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN | | Descriptor: | CALCIUM ION, N~2~-phosphono-L-leucinamide, Thermolysin, ... | | Authors: | Tronrud, D.E, Monzingo, A.F, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
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8TLN
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6TMN
 | | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond | | Descriptor: | CALCIUM ION, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, THERMOLYSIN, ... | | Authors: | Tronrud, D.E, Holden, H.M, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.
Science, 235, 1987
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3TMN
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7TLN
 | | STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR | | Descriptor: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ... | | Authors: | Matthews, B.W, Holmes, M.A, Tronrud, D.E. | | Deposit date: | 1983-01-27 | | Release date: | 1983-03-09 | | Last modified: | 2022-11-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor.
Biochemistry, 22, 1983
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4TLN
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4TMN
 | | SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES | | Descriptor: | CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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5TLN
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1TMN
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1THL
 | | Thermolysin complexed with a novel glutaramide derivative, n-(1-(2(r,s)-carboxy-4-phenylbutyl) cyclopentylcarbonyl)-(s)-tryptophan | | Descriptor: | CALCIUM ION, N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan, THERMOLYSIN, ... | | Authors: | Holland, D.R, Matthews, B.W. | | Deposit date: | 1993-11-17 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Thermolysin and Neutral Endopeptidase 24.11 By a Novel Glutaramide Derivative; X-Ray Structure Determination of the Thermolysin-Inhibitor Complex
Biochemistry, 33, 1994
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1TLP
 | | CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN | | Descriptor: | CALCIUM ION, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, THERMOLYSIN, ... | | Authors: | Tronrud, D.E, Monzingo, A.F, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
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1MBO
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