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PDB: 3016 件

4HNO
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High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A.
登録日2012-10-20
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.9194 Å)
主引用文献Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
6DHR
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BU of 6dhr by Molmil
NMR Solution structure of Rivi3
分子名称: Rivi3
著者Harvey, P.J, Craik, D.J.
登録日2018-05-21
公開日2019-04-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Discovery and Characterization of Cyclotides from Rinorea Species.
J. Nat. Prod., 81, 2018
1JXN
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Crystal Structure of the Lectin I from Ulex europaeus in complex with the methyl glycoside of alpha-L-fucose
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, MANGANESE (II) ION, ...
著者Audette, G.F, Olson, D.J.H, Ross, A.R.S, Quail, J.W, Delbaere, L.T.J.
登録日2001-09-07
公開日2002-12-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Examination of the Structural Basis for O(H) Blood Group Specificity by Ulex europaeus Lectin I
Can.J.Chem., 80, 2002
1RVX
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1934 H1 Hemagglutinin in complex with LSTA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S, Elliot, A, Wiley, D.C, Skehel, J.J.
登録日2003-12-15
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1PEN
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ALPHA-CONOTOXIN PNI1
分子名称: ALPHA-CONOTOXIN PNIA
著者Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L.
登録日1996-01-29
公開日1997-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
4EBW
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BU of 4ebw by Molmil
Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor
分子名称: 1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide, Focal adhesion kinase 1
著者Iwatani, M, Iwata, H, Okabe, A, Skene, R.J, Tomita, N, Hayashi, Y, Aramaki, Y, Hosfield, D.J, Hori, A, Baba, A, Miki, H.
登録日2012-03-25
公開日2012-07-25
最終更新日2013-03-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and characterization of novel allosteric FAK inhibitors.
Eur.J.Med.Chem., 61, 2013
5IN9
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Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.
分子名称: Endoplasmin, GLYCEROL, TRIETHYLENE GLYCOL, ...
著者Lieberman, R.L, Huard, D.J.E, Kizziah, J.L.
登録日2016-03-07
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold.
J.Med.Chem., 59, 2016
1T9E
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NMR solution structure of a disulfide analogue of the cyclic sunflower trypsin inhibitor SFTI-1
分子名称: Trypsin inhibitor 1
著者Korsinczky, M.L.J, Clark, R.J, Craik, D.J.
登録日2004-05-16
公開日2005-05-03
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Disulfide bond mutagenesis and the structure and function of the head-to-tail macrocyclic trypsin inhibitor SFTI-1
Biochemistry, 44, 2005
1TB6
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2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A.
登録日2004-05-19
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin.
Nat.Struct.Mol.Biol., 11, 2004
1TFN
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BU of 1tfn by Molmil
STRUCTURE REFINEMENT FOR A 24-NUCLEOTIDE RNA HAIRPIN, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: RNA (5'-R(*GP*GP*GP*AP*CP*UP*GP*AP*CP*GP*AP*UP*CP*AP*CP*GP*CP*AP*GP*UP*CP*UP*AP*U)-3')
著者Kerwood, D.J, Borer, P.N.
登録日1996-07-10
公開日1997-02-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure Refinement for a 24-Nucleotide RNA Hairpin
MAGN.RESON.CHEM., 33, 1996
4HM3
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Naphthalene 1,2-Dioxygenase bound to ethylbenzene
分子名称: 1,2-ETHANEDIOL, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ferraro, D.J, Ramaswamy, S.
登録日2012-10-17
公開日2013-10-30
最終更新日2013-12-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Naphthalene 1,2-Dioxygenase bound to ethylbenzene
To be Published
4FT2
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BU of 4ft2 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-15)K9me2 peptide and SAH
分子名称: DNA (cytosine-5)-methyltransferase 1, H3 peptide, S-ADENOSYL-L-HOMOCYSTEINE
著者Du, J, Patel, D.J.
登録日2012-06-27
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
1RTR
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Crystal Structure of S. Aureus Farnesyl Pyrophosphate Synthase
分子名称: geranyltranstransferase
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-10
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Mol.Biol., 279, 2004
1RQJ
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Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ...
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-05
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
1RPV
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BU of 1rpv by Molmil
HIV-1 REV PROTEIN (RESIDUES 34-50)
分子名称: HIV-1 REV PROTEIN
著者Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L.
登録日1995-05-04
公開日1995-10-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
4H9N
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Complex structure 1 of DAXX/H3.3(sub5)/H4
分子名称: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
著者Elsasser, S.J, Huang, H, Lewis, P.W, Chin, J.W, Allis, D.C, Patel, D.J.
登録日2012-09-24
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献DAXX chaperone envelops an H3.3/H4 dimer dictating H3.3-specific read out
To be Published
1SSU
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BU of 1ssu by Molmil
Structural and biochemical evidence for disulfide bond heterogeneity in active forms of the somatomedin B domain of human vitronectin
分子名称: Vitronectin
著者Kamikubo, Y, De Guzman, R, Kroon, G, Curriden, S, Neels, J.G, Churchill, M.J, Dawson, P, Oldziej, S, Jagielska, A, Scheraga, H.A, Loskutoff, D.J, Dyson, H.J.
登録日2004-03-24
公開日2004-07-27
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Disulfide bonding arrangements in active forms of the somatomedin B domain of human vitronectin.
Biochemistry, 43, 2004
4HM5
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Naphthalene 1,2-Dioxygenase bound to indene
分子名称: 1,2-ETHANEDIOL, 2,3-dihydro-1H-indene, FE (III) ION, ...
著者Ferraro, D.J, Ramaswamy, S.
登録日2012-10-17
公開日2013-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Naphthalene 1,2-Dioxygenase bound to indene
To be Published
1T4E
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Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor
分子名称: (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID, Ubiquitin-protein ligase E3 Mdm2
著者Grasberger, B.L, Schubert, C, Koblish, H.K, Carver, T.E, Franks, C.F, Zhao, S.Y, Lu, T, LaFrance, L.V, Parks, D.J.
登録日2004-04-29
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
4HM4
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Naphthalene 1,2-Dioxygenase bound to indan
分子名称: 1,2-ETHANEDIOL, 2,3-dihydro-1H-indene, FE (III) ION, ...
著者Ferraro, D.J, Ramaswamy, S.
登録日2012-10-17
公開日2013-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Naphthalene 1,2-Dioxygenase bound to indan
To be Published
4HM8
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Naphthalene 1,2-Dioxygenase bound to thioanisole
分子名称: (methylsulfanyl)benzene, 1,2-ETHANEDIOL, FE (III) ION, ...
著者Ferraro, D.J, Ramaswamy, S.
登録日2012-10-17
公開日2013-10-30
最終更新日2016-04-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Naphthalene 1,2-Dioxygenase bound to thioanisole
To be Published
4HRH
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BU of 4hrh by Molmil
Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide
分子名称: Helicase-like transcription factor, Protein S100-A10, Annexin A2, ...
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
1TJM
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Crystallographic Identification of Sr2+ Coordination Site in Synaptotagmin I C2B Domain
分子名称: GLYCEROL, STRONTIUM ION, Synaptotagmin I
著者Cheng, Y, Sequeira, S.M, Malinina, L, Tereshko, V, Sollner, T.H, Patel, D.J.
登録日2004-06-06
公開日2004-09-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystallographic identification of Ca2+ and Sr2+ coordination sites in synaptotagmin I C2B domain
Protein Sci., 13, 2004
4HRE
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Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide
分子名称: Annexin A2, Helicase-like transcription factor, Protein S100-A10
著者Gao, P, Patel, D.J.
登録日2012-10-27
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7852 Å)
主引用文献SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action.
Cell(Cambridge,Mass.), 152, 2013
1TG5
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Crystal structures of plant 4-hydroxyphenylpyruvate dioxygenases complexed with DAS645
分子名称: 4-hydroxyphenylpyruvate dioxygenase, FE (II) ION, [1-TERT-BUTYL-3-(2,4-DICHLOROPHENYL)-5-HYDROXY-1H-PYRAZOL-4-YL][2-CHLORO-4-(METHYLSULFONYL)PHENYL]METHANONE
著者Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A.
登録日2004-05-28
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004

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