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6LUE
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BU of 6lue by Molmil
Crystal structure of mouse Cryptochrome 1 in complex with compound KL201
Descriptor: 2-bromanyl-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide, Cryptochrome-1
Authors:Miller, S, Aikawa, Y, Hirota, T.
Deposit date:2020-01-27
Release date:2020-06-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals.
Cell Chem Biol, 27, 2020
2X6H
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BU of 2x6h by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34
Descriptor: PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6I
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BU of 2x6i by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-90
Descriptor: N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6K
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BU of 2x6k by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PI-103
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, PHOSPHOTIDYLINOSITOL 3 KINASE 59F, SULFATE ION
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6F
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BU of 2x6f by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH 3-METHYLADENINE
Descriptor: 6-AMINO-3-METHYLPURINE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
2X6J
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BU of 2x6j by Molmil
THE CRYSTAL STRUCTURE OF THE DROSOPHILA CLASS III PI3-KINASE VPS34 IN COMPLEX WITH PIK-93
Descriptor: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHOTIDYLINOSITOL 3 KINASE 59F
Authors:Miller, S, Tavshanjian, B, Oleksy, A, Perisic, O, Houseman, B.T, Shokat, K.M, Williams, R.L.
Deposit date:2010-02-17
Release date:2010-04-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase Vps34.
Science, 327, 2010
3FDW
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BU of 3fdw by Molmil
Crystal structure of a C2 domain from human synaptotagmin-like protein 4
Descriptor: Synaptotagmin-like protein 4
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Miller, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-11-26
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a C2 domain from human synaptotagmin-like protein 4
To be Published
3EVY
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BU of 3evy by Molmil
Crystal structure of a fragment of a putative type I restriction enzyme R protein from Bacteroides fragilis
Descriptor: Putative type I restriction enzyme R protein
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Miller, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-10-13
Release date:2008-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of a fragment of a putative type I restriction enzyme R protein from Bacteroides fragilis
To be Published
3F1C
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BU of 3f1c by Molmil
CRYSTAL STRUCTURE OF 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Listeria monocytogenes
Descriptor: Putative 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase 2
Authors:Patskovsky, Y, Ho, J, Toro, R, Gilmore, M, Miller, S, Groshong, C, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Listeria monocytogenes
To be Published
3FHL
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BU of 3fhl by Molmil
Crystal structure of a putative oxidoreductase from bacteroides fragilis nctc 9343
Descriptor: GLYCEROL, MAGNESIUM ION, Putative oxidoreductase
Authors:Patskovsky, Y, Ramagopal, U, Toro, R, Gilmore, M, Miller, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-12-09
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of a Putative Oxidoreductase from Bacteroides Fragilis Nctc 9343
To be Published
4UC1
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BU of 4uc1 by Molmil
High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ...
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4UC3
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BU of 4uc3 by Molmil
Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4UC2
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BU of 4uc2 by Molmil
Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides (A139T mutant) in P212121 space group
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, TETRAETHYLENE GLYCOL, TRANSLOCATOR PROTEIN TSPO
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
8E7X
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BU of 8e7x by Molmil
RsTSPO A138F with one Heme bound
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein
Authors:Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S.
Deposit date:2022-08-25
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
8E7Y
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BU of 8e7y by Molmil
RsTSPO A138F with two heme bound
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan-rich sensory protein
Authors:Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S.
Deposit date:2022-08-25
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
8E7Z
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BU of 8e7z by Molmil
RsTSPO mutant -A138F
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DI(HYDROXYETHYL)ETHER, Tryptophan-rich sensory protein
Authors:Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S.
Deposit date:2022-08-25
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
8E7W
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BU of 8e7w by Molmil
RsTSPO A139T with Heme
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Liu, J, Hiser, C, Li, F, Garavito, R, Ferguson-Miller, S.
Deposit date:2022-08-25
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New TSPO Crystal Structures of Mutant and Heme-Bound Forms with Altered Flexibility, Ligand Binding, and Porphyrin Degradation Activity.
Biochemistry, 62, 2023
3SZ9
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BU of 3sz9 by Molmil
Crystal structure of human ALDH2 modified with the beta-elimination product of Aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one
Descriptor: 1,2-ETHANEDIOL, 1-(4-ethylphenyl)propan-1-one, Aldehyde dehydrogenase, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2011-07-18
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
J.Biol.Chem., 286, 2011
1O05
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BU of 1o05 by Molmil
Apo form of human mitochondrial aldehyde dehydrogenase
Descriptor: Aldehyde dehydrogenase, SODIUM ION
Authors:Hurley, T.D, Perez-Miller, S, Breen, H.
Deposit date:2003-02-20
Release date:2003-03-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Order and disorder in mitochondrial aldehyde dehydrogenase
Chem.Biol.Interact., 130-132, 2001
5UQC
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BU of 5uqc by Molmil
Crystal structure of mouse CRMP2
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Dihydropyrimidinase-related protein 2
Authors:Khanna, M, Khanna, R, Perez-Miller, S, Francois-Moutal, L.
Deposit date:2017-02-07
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A single structurally conserved SUMOylation site in CRMP2 controls NaV1.7 function.
Channels (Austin), 11, 2017
3FYE
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BU of 3fye by Molmil
Catalytic core subunits (I and II) of cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state
Descriptor: CADMIUM ION, CALCIUM ION, COPPER (I) ION, ...
Authors:Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S.
Deposit date:2009-01-22
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
3FYI
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BU of 3fyi by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides in the reduced state bound with cyanide
Descriptor: CADMIUM ION, CALCIUM ION, COPPER (I) ION, ...
Authors:Qin, L, Mills, D.A, Proshlyakov, D.A, Hiser, C, Ferguson-Miller, S.
Deposit date:2009-01-22
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Biochemistry, 48, 2009
3INL
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BU of 3inl by Molmil
Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2009-08-12
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant.
Nat.Struct.Mol.Biol., 17, 2010
3INJ
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BU of 3inj by Molmil
Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1
Descriptor: 1,2-ETHANEDIOL, Aldehyde dehydrogenase, mitochondrial, ...
Authors:Perez-Miller, S, Hurley, T.D.
Deposit date:2009-08-12
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant.
Nat.Struct.Mol.Biol., 17, 2010
6CI0
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BU of 6ci0 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Hiser, C, Ferguson-Miller, S.
Deposit date:2018-02-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Biochim. Biophys. Acta, 1859, 2018

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