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4FDL
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Crystal structure of Caspase-7
Descriptor: Caspase-7
Authors:Kabaleeswaran, V.
Deposit date:2012-05-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
1VSN
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Crystal structure of a potent small molecule inhibitor bound to cathepsin K
Descriptor: Cathepsin K, N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
Authors:McGrath, M.
Deposit date:2007-03-19
Release date:2007-04-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a potent and selective non-basic cathepsin K inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
4FFU
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CRYSTAL STRUCTURE OF putative MaoC-like (monoamine oxidase-like) protein, similar to NodN from Sinorhizo Bium meliloti 1021
Descriptor: CHLORIDE ION, oxidase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-06-01
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:CRYSTAL STRUCTURE OF putative MaoC-like (monoamine oxidase-like) protein, similar to NodN from Sinorhizo Bium meliloti 1021
To be Published
4F6E
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Crystal Structure of the K182R, A183P mutant manganese superoxide dismutase from Sacchromyces cerevisiae
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Sheng, Y, Cascio, D, Valentine, J.S.
Deposit date:2012-05-14
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the K182R, A183P mutant manganese superoxide dismutase from Sacchromyces cerevisiae
to be published
4EZ8
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BU of 4ez8 by Molmil
Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate
Descriptor: 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate
Pteridines, 2013
4FPO
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BU of 4fpo by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-[(3-chloro-4-methoxybenzyl)ammonio]ethanesulfonate
Descriptor: 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2012-06-22
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Synthesis and structural characterisation of selective non-carbohydrate-based inhibitors of bacterial sialidases.
Chembiochem, 13, 2012
4FQ1
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Crystal Structure of PGT121 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2012-06-24
Release date:2012-11-14
Last modified:2021-05-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F2J
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Crystal structure of ZNF217 bound to DNA, P6522 crystal form
Descriptor: 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', ZINC ION, Zinc finger protein 217
Authors:Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
Deposit date:2012-05-08
Release date:2013-02-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217
J.Biol.Chem., 288, 2013
4F3Y
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X-Ray Crystal Structure of Dihydrodipicolinate reductase from Burkholderia thailandensis
Descriptor: CHLORIDE ION, Dihydrodipicolinate reductase, SODIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-09
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4F4E
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Crystal structure of Aromatic-amino-acid aminotransferase from Burkholderia pseudomallei covalently bound to pyridoxal phosphate
Descriptor: 1,2-ETHANEDIOL, Aromatic-amino-acid aminotransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-10
Release date:2012-05-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Aromatic-amino-acid aminotransferase from Burkholderia pseudomallei covalently bound to pyridoxal phosphate
To be Published
4F54
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Crystal structure of a DUF4136 family protein (BT2437) from Bacteroides thetaiotaomicron VPI-5482 at 1.60 A resolution
Descriptor: CHLORIDE ION, SULFATE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-05-11
Release date:2012-07-11
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a hypothetical protein (BT2437) from Bacteroides thetaiotaomicron VPI-5482 at 1.60 A resolution
To be published
4EZJ
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Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Descriptor: 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-05-02
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
4F28
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The Crystal Structure of a Human MitoNEET mutant with Met 62 Replaced by a Gly
Descriptor: CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER
Authors:Baxter, E.L, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A.
Deposit date:2012-05-07
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Allosteric control in a metalloprotein dramatically alters function.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F9G
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Crystal structure of STING complex with Cyclic di-GMP.
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Transmembrane protein 173
Authors:Kabaleeswaran, V, Wu, H.
Deposit date:2012-05-18
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Cyclic di-GMP Sensing via the Innate Immune Signaling Protein STING.
Mol.Cell, 46, 2012
4F4H
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BU of 4f4h by Molmil
Crystal structure of a Glutamine dependent NAD+ synthetase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, Glutamine dependent NAD+ synthetase, NITRATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-10
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1VJU
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BU of 1vju by Molmil
Coproporphyrinogen III oxidase from Leishmania major
Descriptor: Coproporphyrinogen III oxidase
Authors:Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2004-03-29
Release date:2004-04-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Coproporphyrinogen III oxidase from Leishmania major
To be Published
4FFX
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BU of 4ffx by Molmil
Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation
Descriptor: Adenylosuccinate lyase
Authors:Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
Deposit date:2012-06-01
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
4FGY
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BU of 4fgy by Molmil
Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity
Descriptor: (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-dihydroxy-22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyloctahydro-2,2'-bifuran-5-yl}-4,6,8,12,14,18,20-heptamethyl-9,11-dioxodocos-16-enoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Wang, R, Li, Y.
Deposit date:2012-06-05
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Identification of the antibiotic ionomycin as an unexpected peroxisome proliferator-activated receptor Gamma (PPAR-gamma) ligand with a unique binding mode and effective glucose-lowering activity in a mouse model of diabetes.
Diabetologia, 56, 2013
1VRM
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BU of 1vrm by Molmil
Crystal structure of the apbe protein (tm1553) from thermotoga maritima msb8 at 1.58 A resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-03-10
Release date:2005-03-22
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of the ApbE protein (TM1553) from Thermotoga maritima at 1.58 A resolution.
Proteins, 64, 2006
4FJQ
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Crystal Structure of an alpha-Bisabolol synthase
Descriptor: Amorpha-4,11-diene synthase
Authors:Jianxu, L, Peng, Z.
Deposit date:2012-06-12
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.0001 Å)
Cite:Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency.
Biochem.J., 451, 2013
4FLP
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BU of 4flp by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain testis-specific protein, POTASSIUM ION
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Canning, P, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bradner, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-06-15
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Small-Molecule Inhibition of BRDT for Male Contraception.
Cell(Cambridge,Mass.), 150, 2012
4F3P
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Crystal structure of a Glutamine-binding periplasmic protein from Burkholderia pseudomallei in complex with glutamine
Descriptor: Glutamine-binding periplasmic protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-09
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Glutamine-binding periplasmic protein from Burkholderia pseudomallei in complex with glutamine
To be Published
4FH0
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Crystal Structure of Human BinCARD CARD, double mutant F16M/L66M SeMet form
Descriptor: Bcl10-interacting CARD protein, SULFATE ION
Authors:Chen, K.-E, Kobe, B, Martin, J.L.
Deposit date:2012-06-05
Release date:2013-02-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized.
Acta Crystallogr.,Sect.D, 69, 2013
4F7W
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Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide
Descriptor: (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ...
Authors:Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2012-05-16
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.
Proteins, 81, 2013
4FFC
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Crystal structure of a 4-aminobutyrate aminotransferase (GabT) from Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase (GabT)
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-31
Release date:2012-06-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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