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4OK3
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OFC
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2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye decarboxylase
分子名称: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
著者Huo, L, Liu, F, Iwaki, H, Chen, L, Hasegawa, Y, Liu, A.
登録日2014-01-14
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
3GVR
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Single-chain UROD Y164G (GY) mutation
分子名称: Uroporphyrinogen decarboxylase
著者Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C.
登録日2009-03-31
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
4OGL
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X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 A resolution
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
登録日2014-01-16
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献X-ray structure uridine phosphorylase from Vibrio cholerae in complex with thymine at 1.25 A resolution
Crystallogr. Rep., 2016
4OHR
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Crystal structure of MilB from Streptomyces rimofaciens
分子名称: CMP/hydroxymethyl CMP hydrolase
著者Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X.
登録日2014-01-17
公開日2014-06-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
2FON
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BU of 2fon by Molmil
X-ray crystal structure of LeACX1, an acyl-CoA oxidase from Lycopersicon esculentum (tomato)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, peroxisomal acyl-CoA oxidase 1A
著者Garavito, R.M, Powers, R.A.
登録日2006-01-13
公開日2006-05-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structure determination and analysis of acyl-CoA oxidase (ACX1) from tomato.
Acta Crystallogr.,Sect.D, 62, 2006
4ONM
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Crystal structure of human Mms2/Ubc13 - NSC697923
分子名称: 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran, GLYCEROL, Ubiquitin-conjugating enzyme E2 N, ...
著者Hodge, C.D, Edwards, R.A, Glover, J.N.M.
登録日2014-01-28
公開日2015-05-06
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Covalent Inhibition of Ubc13 Affects Ubiquitin Signaling and Reveals Active Site Elements Important for Targeting.
Acs Chem.Biol., 10, 2015
3UTQ
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BU of 3utq by Molmil
Human HLA-A*0201-ALWGPDPAAA
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Rizkallah, P.J, Cole, D.K, Sewell, A.K, Bulek, A.M.
登録日2011-11-26
公開日2012-01-25
最終更新日2012-03-07
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural basis for the killing of human beta cells by CD8(+) T cells in type 1 diabetes.
Nat.Immunol., 13, 2012
3GXD
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Crystal structure of Apo acid-beta-glucosidase pH 4.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3UC9
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Crystal Structure of Yeast Irc6p - A Novel Type of Conserved Clathrin Accessory Protein
分子名称: Increased recombination centers protein 6
著者Gorynia, S, Payne, G.S, Cascio, D, Sawaya, M.R.
登録日2011-10-26
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Yeast Irc6p is a novel type of conserved clathrin coat accessory factor related to small G proteins.
Mol Biol Cell, 23, 2012
4OK6
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Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
3GYT
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BU of 3gyt by Molmil
Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4
分子名称: (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1
著者Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J.
登録日2009-04-05
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H6U
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BU of 3h6u by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution
分子名称: (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ...
著者Hald, H, Gajhede, M, Kastrup, J.S.
登録日2009-04-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
3UDH
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Crystal Structure of BACE with Compound 1
分子名称: (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDQ
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Crystal Structure of BACE with Compound 13
分子名称: (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UE2
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Crystal structure of a RNA binding domain of poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.23 A resolution
分子名称: Poly(U)-binding-splicing factor PUF60, SULFATE ION
著者Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
登録日2011-10-28
公開日2011-11-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Crystal structure of a RNA binding domain of poly-U binding splicing factor 60KDa (PUF60) from Homo sapiens at 1.23 A resolution
To be published
3UDM
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Crystal Structure of BACE with Compound 8
分子名称: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
4OTI
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BU of 4oti by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
分子名称: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1
著者Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
登録日2014-02-13
公開日2014-08-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
3H9V
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Crystal structure of the ATP-gated P2X4 ion channel in the closed, apo state at 3.1 Angstroms
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GADOLINIUM ATOM, P2X purinoceptor
著者Kawate, T, Michel, J.C, Gouaux, E.
登録日2009-04-30
公開日2009-07-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of the ATP-gated P2X(4) ion channel in the closed state.
Nature, 460, 2009
3HAP
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BU of 3hap by Molmil
Crystal structure of bacteriorhodopsin mutant L111A crystallized from bicelles
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Bacteriorhodopsin, DECANE, ...
著者Joh, N.H, Yang, D, Bowie, J.U.
登録日2009-05-02
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Similar energetic contributions of packing in the core of membrane and water-soluble proteins.
J.Am.Chem.Soc., 131, 2009
3UGJ
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Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ...
著者Morar, M, Tanwar, A.S, Panjikar, S, Anand, R.
登録日2011-11-02
公開日2012-06-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling
Acta Crystallogr.,Sect.D, 68, 2012
3UI6
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0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
2G3O
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The 2.1A crystal structure of copGFP
分子名称: green fluorescent protein 2
著者Wilmann, P.G.
登録日2006-02-20
公開日2006-08-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The 2.1A crystal structure of copGFP, a representative member of the copepod clade within the green fluorescent protein superfamily
J.Mol.Biol., 359, 2006
3H9J
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Crystal structure of E. coli MccB + AMPCPP + SeMeT MccA
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MccB protein, Microcin C7 ANALOG, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
3UJ4
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Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor
分子名称: Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION
著者Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional conservation of key domains in InsP3 and ryanodine receptors.
Nature, 483, 2012

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