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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:2024-02-07
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
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
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:2021-11-10
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
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
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:2022-03-30
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
2ZAF
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BU of 2zaf by Molmil
Mechanistic and Structural Analyses of the Roles of Arg409 and Asp402 in the Reaction of the Flavoprotein Nitroalkane Oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Nitroalkane oxidase
Authors:Fitzpatrick, P.F, Bozinovski, D.M, Heroux, A, Shaw, P.G, Valley, M.P, Orville, A.M.
Deposit date:2007-10-05
Release date:2008-06-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic and structural analyses of the roles of Arg409 and Asp402 in the reaction of the flavoprotein nitroalkane oxidase.
Biochemistry, 46, 2007
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
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
1KMV
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BU of 1kmv by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9662), A LIPOPHILIC ANTIFOLATE
Descriptor: (Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, DIMETHYL SULFOXIDE, ...
Authors:Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
Deposit date:2001-12-17
Release date:2002-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
1KMS
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BU of 1kms by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE (SRI-9439), A LIPOPHILIC ANTIFOLATE
Descriptor: 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klon, A.E, Heroux, A, Ross, L.J, Pathak, V, Johnson, C.A, Piper, J.R, Borhani, D.W.
Deposit date:2001-12-17
Release date:2002-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Atomic structures of human dihydrofolate reductase complexed with NADPH and two lipophilic antifolates at 1.09 a and 1.05 a resolution.
J.Mol.Biol., 320, 2002
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
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
4R0X
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BU of 4r0x by Molmil
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G.
Deposit date:2014-08-02
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
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:2015-12-08
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
7Q92
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BU of 7q92 by Molmil
Crystal Structure of Agrobacterium tumefaciens NADQ, ATP complex.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, NADQ transcription factor, POTASSIUM ION, ...
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q91
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BU of 7q91 by Molmil
Crystal Structure of Agrobacterium tumefaciens NADQ, native form.
Descriptor: NADQ transcription factor, SODIUM ION
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q94
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BU of 7q94 by Molmil
Crystal Structure of Agrobacterium tumefaciens NADQ, DNA complex.
Descriptor: DNA binding region (31-MER), NADQ transcription factor
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-09
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
7Q93
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BU of 7q93 by Molmil
Crystal Structure of Agrobacterium tumefaciens NADQ, NAD complex.
Descriptor: GLYCEROL, NADQ transcription factor, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M.
Deposit date:2021-11-11
Release date:2022-11-23
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
1YWM
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BU of 1ywm by Molmil
Crystal structure of the N-terminal domain of group B Streptococcus alpha C protein
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, C protein alpha-antigen, GLYCEROL
Authors:Auperin, T.C, Bolduc, G.R, Baron, M.J, Heroux, A, Filman, D.J, Madoff, L.C, Hogle, J.M.
Deposit date:2005-02-18
Release date:2005-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of the N-terminal domain of the group B streptococcus alpha C protein.
J.Biol.Chem., 280, 2005

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