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4IOL
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BU of 4iol by Molmil
N10-formyltetrahydrofolate synthetase from Moorella thermoacetica with ADP/ZD9 and XPO
Descriptor: 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one, ADENOSINE-5'-DIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Stec, B.
Deposit date:2013-01-08
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.563 Å)
Cite:Time passes yet errors remain: Comments on the structure of N(10) -formyltetrahydrofolate synthetase.
Protein Sci., 22, 2013
5OKJ
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BU of 5okj by Molmil
Non-conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in the C2 spacegroup
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IMIDAZOLE, ...
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
4IEY
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BU of 4iey by Molmil
Cys-persulfenate bound Cysteine Dioxygenase at pH 7.0 in the presence of Cys, home-source structure
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, S-HYDROPEROXYCYSTEINE
Authors:Driggers, C.M, Cooley, R.B, Karplus, P.A.
Deposit date:2012-12-13
Release date:2013-06-26
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
J.Mol.Biol., 425, 2013
2ZS0
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BU of 2zs0 by Molmil
Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin
Descriptor: CALCIUM ION, CHLORIDE ION, Extracellular giant hemoglobin major globin subunit A1, ...
Authors:Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K.
Deposit date:2008-09-02
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin
Biochemistry, 47, 2008
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
7VT0
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BU of 7vt0 by Molmil
Dimer structure of SORLA
Descriptor: Sortilin-related receptor
Authors:Xi, Z, Cang, W, Chuang, L.
Deposit date:2021-10-27
Release date:2022-11-02
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures reveal distinct apo conformations of sortilin-related receptor SORLA.
Biochem.Biophys.Res.Commun., 600, 2022
5OIM
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BU of 5oim by Molmil
InhA (T2A mutant) complexed with ethyl 2-methyl-4,5,6,7-tetrahydrobenzo[d]thiazole-6-carboxylate
Descriptor: 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
4L5U
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BU of 4l5u by Molmil
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Boone, C.D, Gill, S, McKenna, R.
Deposit date:2013-06-11
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II.
Arch.Biochem.Biophys., 539, 2013
2E4U
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BU of 2e4u by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with L-glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 3
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E4Y
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BU of 2e4y by Molmil
Crystal structure of the extracellular region of the group II metabotropic glutamate receptor complexed with 2R,4R-APDC
Descriptor: (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Muto, T, Tsuchiya, D, Morikawa, K, Jingami, H.
Deposit date:2006-12-17
Release date:2007-02-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structures of the extracellular regions of the group II/III metabotropic glutamate receptors
Proc.Natl.Acad.Sci.Usa, 104, 2007
1Q63
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BU of 1q63 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-Diamino-8-(1H-imidazol-2-ylsulfanylmethyl)-3H-quinazoline-4-one crystallized at pH 5.5
Descriptor: 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)-3H-QUINAZOLINE-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
Deposit date:2003-08-12
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
5OIR
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BU of 5oir by Molmil
InhA (T2A mutant) complexed with 2,6-Dimethyl-3-(1-(pyrimidin-2-yl)piperidin-4-yl)pyridin-4(1H)-one
Descriptor: 2,6-dimethyl-3-(1-pyrimidin-2-ylpiperidin-4-yl)-1~{H}-pyridin-4-one, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
1Q65
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BU of 1q65 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2,6-DIAMINO-8-(2-dimethylaminoethylsulfanylmethyl)-3H-QUINAZOLIN-4-ONE crystallized at pH 5.5
Descriptor: 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Brenk, R, Meyer, E, Reuter, K, Stubbs, M.T, Garcia, G.A, Klebe, G.
Deposit date:2003-08-12
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening.
J.Mol.Biol., 338, 2004
3FUI
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BU of 3fui by Molmil
Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
5OIL
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BU of 5oil by Molmil
InhA (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
Descriptor: 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea, 2-ETHOXYETHANOL, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
4O9E
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BU of 4o9e by Molmil
Crystal structure of QdtA, a sugar 3,4-ketoisemerase from Thermoanaerobacterium thermosaccharolyticum in complex with TDP
Descriptor: (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol, QdtA, THYMIDINE-5'-DIPHOSPHATE, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2014-01-02
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular architecture of QdtA, a sugar 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum.
Protein Sci., 23, 2014
6H0F
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BU of 6h0f by Molmil
Structure of DDB1-CRBN-pomalidomide complex bound to IKZF1(ZF2)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, DNA-binding protein Ikaros, Protein cereblon, ...
Authors:Petzold, G, Bunker, R.D, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
4O9G
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BU of 4o9g by Molmil
Crystal structure of the H51N mutant of the 3,4-ketoisomerase QdtA from Thermoanaerobacterium thermosaccharolyticum in complex with TDP-4-keto-6-deoxyglucose
Descriptor: (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol, 1,2-ETHANEDIOL, QdtA, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2014-01-02
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular architecture of QdtA, a sugar 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum.
Protein Sci., 23, 2014
1XNN
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BU of 1xnn by Molmil
CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.
Descriptor: Androgen receptor, REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE
Authors:Sack, J.
Deposit date:2004-10-05
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Bioorg.Med.Chem.Lett., 15, 2005
1PSC
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BU of 1psc by Molmil
PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Descriptor: CADMIUM ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, FORMIC ACID, ...
Authors:Benning, M.M, Holden, H.M.
Deposit date:1995-04-25
Release date:1997-04-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of the binuclear metal center of phosphotriesterase.
Biochemistry, 34, 1995
2P8B
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BU of 2p8b by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys.
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE
Authors:Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
Deposit date:2007-03-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
3FU5
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BU of 3fu5 by Molmil
Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine
Descriptor: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
6H0G
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BU of 6h0g by Molmil
Structure of the DDB1-CRBN-pomalidomide complex bound to ZNF692(ZF4)
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1,DDB1 (DNA damage binding protein 1),DNA damage-binding protein 1,DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
Authors:Bunker, R.D, Petzold, G, Thoma, N.H.
Deposit date:2018-07-09
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Defining the human C2H2 zinc finger degrome targeted by thalidomide analogs through CRBN.
Science, 362, 2018
1CEV
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BU of 1cev by Molmil
ARGINASE FROM BACILLUS CALDOVELOX, NATIVE STRUCTURE AT PH 5.6
Descriptor: MANGANESE (II) ION, PROTEIN (ARGINASE)
Authors:Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N.
Deposit date:1999-03-12
Release date:1999-04-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Structure Fold.Des., 7, 1999
3FUM
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BU of 3fum by Molmil
Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Descriptor: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009

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