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2MB5
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BU of 2mb5 by Molmil
HYDRATION IN PROTEIN CRYSTALS. A NEUTRON DIFFRACTION ANALYSIS OF CARBONMONOXYMYOGLOBIN
Descriptor: AMMONIUM CATION WITH D, CARBON MONOXIDE, MYOGLOBIN, ...
Authors:Schoenborn, B.P, Cheng, X.
Deposit date:1989-10-11
Release date:1991-04-15
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.8 Å)
Cite:Hydration in Protein Crystals. A Neutron Diffraction Analysis of Carbonmonoxymyoglobin
Acta Crystallogr.,Sect.B, 46, 1990
1CQ2
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BU of 1cq2 by Molmil
NEUTRON STRUCTURE OF FULLY DEUTERATED SPERM WHALE MYOGLOBIN AT 2.0 ANGSTROM
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shu, F, Ramakrishnan, V, Schoenborn, B.P.
Deposit date:1999-08-04
Release date:1999-08-16
Last modified:2024-02-07
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Enhanced visibility of hydrogen atoms by neutron crystallography on fully deuterated myoglobin.
Proc.Natl.Acad.Sci.USA, 97, 2000
3BYC
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BU of 3byc by Molmil
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
3KGG
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BU of 3kgg by Molmil
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
2GVE
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BU of 2gve by Molmil
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
3CWH
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BU of 3cwh by Molmil
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
1QF0
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BU of 1qf0 by Molmil
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
1QF1
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BU of 1qf1 by Molmil
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
1QF2
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BU of 1qf2 by Molmil
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
2GUB
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BU of 2gub by Molmil
Crystal Structure of Metal Free D-Xylose Isomerase.
Descriptor: Xylose isomerase
Authors:Carrell, H.L, Katz, A.K, Glusker, J.P.
Deposit date:2006-04-29
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GLK
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BU of 2glk by Molmil
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
8TLN
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BU of 8tln by Molmil
STRUCTURAL COMPARISON SUGGESTS THAT THERMOLYSIN AND RELATED NEUTRAL PROTEASES UNDERGO HINGE-BENDING MOTION DURING CATALYSIS
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:Tronrud, D, Matthews, B.W.
Deposit date:1993-09-01
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis.
Biochemistry, 31, 1992
3TMN
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BU of 3tmn by Molmil
THE BINDING OF L-VALYL-L-TRYPTOPHAN TO CRYSTALLINE THERMOLYSIN ILLUSTRATES THE MODE OF INTERACTION OF A PRODUCT OF PEPTIDE HYDROLYSIS
Descriptor: CALCIUM ION, THERMOLYSIN, TRYPTOPHAN, ...
Authors:Holden, H.M, Matthews, B.W.
Deposit date:1987-06-29
Release date:1989-01-09
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The binding of L-valyl-L-tryptophan to crystalline thermolysin illustrates the mode of interaction of a product of peptide hydrolysis.
J.Biol.Chem., 263, 1988
7TLN
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BU of 7tln by Molmil
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
6TMN
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BU of 6tmn by Molmil
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:2022-11-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.
Science, 235, 1987
3L45
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BU of 3l45 by Molmil
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
4TLN
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BU of 4tln by Molmil
BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS
Descriptor: CALCIUM ION, L-LEUCYL-HYDROXYLAMINE, THERMOLYSIN, ...
Authors:Matthews, B.W, Holmes, M.A.
Deposit date:1982-02-08
Release date:1982-05-26
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis.
Biochemistry, 20, 1981
4TMN
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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:2022-11-23
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
5TLN
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BINDING OF HYDROXAMIC ACID INHIBITORS TO CRYSTALLINE THERMOLYSIN SUGGESTS A PENTACOORDINATE ZINC INTERMEDIATE IN CATALYSIS
Descriptor: CALCIUM ION, HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE, THERMOLYSIN, ...
Authors:Matthews, B.W, Holmes, M.A.
Deposit date:1982-02-08
Release date:1982-05-26
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis.
Biochemistry, 20, 1981
5TMN
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BU of 5tmn by Molmil
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:2022-11-23
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
2TMN
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BU of 2tmn by Molmil
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:2022-11-23
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
1THL
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BU of 1thl by Molmil
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:2023-08-09
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
1TLP
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BU of 1tlp by Molmil
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
1TMN
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Binding of n-carboxymethyl dipeptide inhibitors to thermolysin determined by x-ray crystallography. a novel class of transition-state analogues for zinc peptidases
Descriptor: CALCIUM ION, N-[(1R)-1-carboxy-3-phenylpropyl]-L-leucyl-L-tryptophan, THERMOLYSIN, ...
Authors:Monzingo, A.F, Matthews, B.W.
Deposit date:1987-06-29
Release date:1989-01-09
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by X-ray crystallography: a novel class of transition-state analogues for zinc peptidases
Biochemistry, 23, 1984
1HYT
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BU of 1hyt by Molmil
RE-DETERMINATION AND REFINEMENT OF THE COMPLEX OF BENZYLSUCCINIC ACID WITH THERMOLYSIN AND ITS RELATION TO THE COMPLEX WITH CARBOXYPEPTIDASE A
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, L-BENZYLSUCCINIC ACID, ...
Authors:Hausrath, A.C, Matthews, B.W.
Deposit date:1994-05-04
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Redetermination and refinement of the complex of benzylsuccinic acid with thermolysin and its relation to the complex with carboxypeptidase A.
J.Biol.Chem., 269, 1994

 

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