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1QK5
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BU of 1qk5 by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH XMP, PYROPHOSPHATE AND TWO MG2+ IONS
Descriptor: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Heroux, A, White, E.L, Ross, L.J, Davis, R.L, Borhani, D.W.
Deposit date:1999-07-09
Release date:1999-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase with Xmp, Pyrophosphate and Two Mg2+ Ions Bound: Insights Into the Catalytic Mechanism
Biochemistry, 38, 1999
1QK3
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BU of 1qk3 by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE GMP COMPLEX
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Heroux, A, White, E.L, Ross, L.J, Borhani, D.W.
Deposit date:1999-07-09
Release date:1999-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex
Biochemistry, 38, 1999
1FSG
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BU of 1fsg by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W.
Deposit date:2000-09-08
Release date:2000-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis.
Structure Fold.Des., 8, 2000
1QK4
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BU of 1qk4 by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE IMP COMPLEX
Descriptor: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, INOSINIC ACID
Authors:Heroux, A, White, E.L, Ross, L.J, Borhani, D.W.
Deposit date:1999-07-09
Release date:1999-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Gmp and -Imp Complexes: Comparison of Purine Binding Interactions with the Xmp Complex
Biochemistry, 38, 1999
3D9G
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BU of 3d9g by Molmil
Nitroalkane oxidase: wild type crystallized in a trapped state forming a cyanoadduct with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Nitroalkane oxidase, ...
Authors:Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2008-05-27
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
3D9F
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BU of 3d9f by Molmil
Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane
Descriptor: 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2008-05-27
Release date:2009-04-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
3D9E
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BU of 3d9e by Molmil
Nitroalkane oxidase: active site mutant D402N crystallized with 1-nitrooctane
Descriptor: 1-nitrooctane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2008-05-27
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
3D9D
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BU of 3d9d by Molmil
Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane
Descriptor: 1-nitrohexane, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Heroux, A, Bozinovski, D.M, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2008-05-27
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of intermediates in the nitroalkane oxidase reaction.
Biochemistry, 48, 2009
4MAX
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BU of 4max by Molmil
Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme modification
Descriptor: HEME B/C, SULFATE ION, cyanoglobin
Authors:Wenke, B.B, Schlessman, J.L, Heroux, A, Lecomte, J.T.J.
Deposit date:2013-08-18
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:The 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures.
Proteins, 82, 2014
4XGK
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BU of 4xgk by Molmil
Crystal structure of UDP-galactopyranose mutase from Corynebacterium diphtheriae in complex with 2-[4-(4-chlorophenyl)-7-(2-thienyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-trien-3-yl]acetic
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
Authors:Wangkanont, K, Heroux, A, Forest, K.T, Kiessling, L.L.
Deposit date:2014-12-31
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.652 Å)
Cite:Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents.
Acs Chem.Biol., 10, 2015
1R7S
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BU of 1r7s by Molmil
PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Smith, N, Mayhew, M, Kelly, H, Robinson, H, Heroux, A, Holden, M.J, Gallagher, D.T.
Deposit date:2003-10-22
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of C73G putidaredoxin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 60, 2004
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-21
Release date:2016-02-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
8ASH
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BU of 8ash by Molmil
Crystal structure of d(CCGGGGTACCCCGG) with XRB
Descriptor: 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline, DNA (5'-D(*CP*CP*GP*GP*GP*GP*TP*AP*CP*CP*CP*CP*GP*G)-3')
Authors:Sbirkova-Dimitrova, H.I, Shivachev, B.L, Rusev, R, Kuvandjiev, N, Heroux, A, Doukov, T.
Deposit date:2022-08-19
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs
Crystals, 12, 2022
8ASK
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BU of 8ask by Molmil
Crystal structure of d(GCCCACCACGGC)
Descriptor: DNA (5'-D(P*GP*CP*CP*CP*AP*CP*CP*AP*CP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*GP*TP*GP*GP*TP*GP*GP*GP*C)-3')
Authors:Sbirkova-Dimitrova, H.I, Shivachev, B.L, Rusev, R, Heroux, A, Doukov, T, Kuvandjiev, N.
Deposit date:2022-08-19
Release date:2023-01-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.955 Å)
Cite:Structural Characterization of Alzheimer DNA Promoter Sequences from the Amyloid Precursor Gene in the Presence of Thioflavin T and Analogs
Crystals, 12, 2022
5KEE
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BU of 5kee by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92F at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-06-09
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92F at cryogenic temperature
To be Published
5JOB
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BU of 5job by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-05-02
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25K/I92A at cryogenic temperature
To be Published
2FJT
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BU of 2fjt by Molmil
Adenylyl cyclase class iv from Yersinia pestis
Descriptor: Adenylyl cyclase class IV, SULFATE ION
Authors:Gallagher, D.T, Smith, N.N, Kim, S.-K, Reddy, P.T, Robinson, H, Heroux, A.
Deposit date:2006-01-03
Release date:2006-11-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure of the class IV adenylyl cyclase reveals a novel fold
J.Mol.Biol., 362, 2006
5HUR
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BU of 5hur by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L25T/I92K at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Skerritt, L.A, Caro, J.A, Heroux, A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2016-01-27
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS L25T/I92K at cryogenic temperature
To be Published
3RYV
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BU of 3ryv by Molmil
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide
Descriptor: Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ1
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BU of 3rz1 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide, ...
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYJ
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BU of 3ryj by Molmil
Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
Descriptor: 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.M.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ5
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BU of 3rz5 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-pentyl-4-sulfamoylbenzamide, ...
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RYY
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BU of 3ryy by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, N-propyl-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ8
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BU of 3rz8 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-hexyl-4-sulfamoylbenzamide, ...
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011

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