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5P21
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BU of 5p21 by Molmil
REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE CONFORMATION OF H-RAS P21 AT 1.35 ANGSTROMS RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF GTP HYDROLYSIS
Descriptor: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Pai, E.F, Wittinghofer, A, Kabsch, W.
Deposit date:1990-04-30
Release date:1992-01-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis.
EMBO J., 9, 1990
5GRT
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BU of 5grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, GLUTATHIONYLSPERMIDINE COMPLEX
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE, GLUTATHIONYLSPERMIDINE DISULFIDE
Authors:Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
821P
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BU of 821p by Molmil
THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLYCINE-12 MUTANT OF P21H-RAS
Descriptor: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Scheidig, A.J, Krengel, U, Pai, E.F, Kabsch, W, Wittinghofer, A, Goody, R.S.
Deposit date:1993-03-29
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras.
Biochemistry, 32, 1993
6BTL
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BU of 6btl by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
Descriptor: 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
Deposit date:2017-12-06
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
621P
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BU of 621p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
6BU7
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BU of 6bu7 by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
Descriptor: 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
Deposit date:2017-12-08
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
6DL7
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BU of 6dl7 by Molmil
Human mitochondrial ClpP in complex with ONC201 (TIC10)
Descriptor: 7-benzyl-4-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(4H)-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Halgas, O, Zarabi, S.F, Schimmer, A, Pai, E.F.
Deposit date:2018-05-31
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mitochondrial ClpP-Mediated Proteolysis Induces Selective Cancer Cell Lethality.
Cancer Cell, 35, 2019
5K3E
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BU of 5k3e by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3A
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BU of 5k3a by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3B
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BU of 5k3b by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3D
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BU of 5k3d by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Apo - No Halide
Descriptor: Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5NYV
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BU of 5nyv by Molmil
Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D.
Deposit date:2017-05-11
Release date:2018-03-21
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein crystals IR laser ablated from aqueous solution at high speed retain their diffractive properties: applications in high-speed serial crystallography.
J.Appl.Crystallogr., 50, 2017
5O2G
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BU of 5o2g by Molmil
Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D.
Deposit date:2017-05-20
Release date:2018-05-30
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
To Be Published
5O2I
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BU of 5o2i by Molmil
An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mueller-Werkmeister, H, Mehrabi, P, Pai, E.F, Miller, R.J.D.
Deposit date:2017-05-20
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
To Be Published
721P
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BU of 721p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
5K3C
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BU of 5k3c by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5K3F
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BU of 5k3f by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
4GRT
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BU of 4grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
Descriptor: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
Authors:Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
Deposit date:1997-02-12
Release date:1997-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
521P
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BU of 521p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION
Authors:Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
121P
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BU of 121p by Molmil
STRUKTUR UND GUANOSINTRIPHOSPHAT-HYDROLYSEMECHANISMUS DES C-TERMINAL VERKUERZTEN MENSCHLICHEN KREBSPROTEINS P21-H-RAS
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Krengel, U, Scheffzek, K, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C-Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras
Thesis, 1991
1AV7
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BU of 1av7 by Molmil
SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-29
Release date:1998-04-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
1AVT
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BU of 1avt by Molmil
SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-09-19
Release date:1998-03-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5DKP
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BU of 5dkp by Molmil
Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556.
Descriptor: ATP-dependent Clp protease proteolytic subunit, POTASSIUM ION, SODIUM ION, ...
Authors:Goodreid, J.D, Janetzko, J, Santa Maria Jr, J.P, Wong, K, Leung, E, Eger, B.T, Bryson, S, Pai, E.F, Gray-Owen, S.D, Walker, S, Houry, W.A, Batey, R.A.
Deposit date:2015-09-03
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.
J.Med.Chem., 59, 2016
6GXT
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BU of 6gxt by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018

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