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PDB: 2662 件

1BKA
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OXALATE-SUBSTITUTED DIFERRIC LACTOFERRIN
分子名称: FE (III) ION, LACTOFERRIN, OXALATE ION
著者Baker, H.M, Smith, C.A, Baker, E.N.
登録日1996-04-15
公開日1996-11-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anion binding by transferrins: importance of second-shell effects revealed by the crystal structure of oxalate-substituted diferric lactoferrin.
Biochemistry, 35, 1996
4DJO
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BU of 4djo by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56
分子名称: 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2012-02-02
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
2HG0
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Structure of the West Nile Virus envelope glycoprotein
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein
著者Nybakken, G.E, Nelson, C.A, Chen, B.R, Diamond, M.S, Fremont, D.H.
登録日2006-06-26
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the West Nile virus envelope glycoprotein.
J.Virol., 80, 2006
4DJQ
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Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86
分子名称: 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein
著者Schiffer, C.A, Nalam, M.N.L.
登録日2012-02-02
公開日2012-08-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
5UUN
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Crystal structure of SARO_2595 from Novosphingobium aromaticivorans
分子名称: ACETATE ION, GLUTATHIONE, Glutathione S-transferase-like protein
著者Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J.
登録日2017-02-17
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
2IIF
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BU of 2iif by Molmil
single chain Integration Host Factor mutant protein (scIHF2-K45aE) in complex with DNA
分子名称: DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ...
著者Bao, Q, Droege, P, Davey, C.A.
登録日2006-09-28
公開日2007-02-20
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending
J.Mol.Biol., 367, 2007
2ISO
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Ternary complex of DNA Polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-difluoromethylene triphosphate
分子名称: 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Sucato, C.A, Upton, T.G, Kashemirov, B.A, Martinek, V, Xiang, Y, Beard, W.A.
登録日2006-10-18
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Modifying the beta,gamma Leaving-Group Bridging Oxygen Alters Nucleotide Incorporation Efficiency, Fidelity, and the Catalytic Mechanism of DNA Polymerase beta.
Biochemistry, 46, 2007
6NIJ
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PGT145 Fab in complex with full length AMC011 HIV-1 Env
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ...
著者Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B.
登録日2018-12-29
公開日2019-07-31
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (5.7 Å)
主引用文献Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
1XLC
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MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
6PU7
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BU of 6pu7 by Molmil
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
分子名称: Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
著者Lesburg, C.A.
登録日2019-07-17
公開日2019-12-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy.
Acs Med.Chem.Lett., 10, 2019
7ZLV
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BU of 7zlv by Molmil
Tail tip of siphophage T5 : central fibre protein pb4
分子名称: Probable central straight fiber
著者Linares, R, Arnaud, C.A, Effantin, G, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C.
登録日2022-04-15
公開日2023-02-08
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4.22 Å)
主引用文献Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation.
Sci Adv, 9, 2023
6NC3
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BU of 6nc3 by Molmil
AMC011 v4.2 SOSIP Env trimer in complex with fusion peptide targeting antibody VRC34 fragment antigen binding
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env AMC011 v4.2 SOSIP gp120, ...
著者Cottrell, C.A, Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2018-12-10
公開日2019-06-19
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Conformational Plasticity in the HIV-1 Fusion Peptide Facilitates Recognition by Broadly Neutralizing Antibodies.
Cell Host Microbe, 25, 2019
6PZ8
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MERS S0 trimer in complex with variable domain of antibody G2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, G2 heavy chain, ...
著者Bowman, C.A, Pallesen, J, Ward, A.B.
登録日2019-07-31
公開日2019-10-09
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.19 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
6PYU
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BU of 6pyu by Molmil
Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one)
分子名称: (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Lesburg, C.A, Augustin, M.A.
登録日2019-07-30
公開日2019-08-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.
Bioorg.Med.Chem.Lett., 29, 2019
4EP3
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BU of 4ep3 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, protease, ...
著者Schiffer, C.A, Mittal, S.
登録日2012-04-16
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
1XLG
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BU of 1xlg by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: ALUMINUM ION, D-XYLOSE ISOMERASE, MAGNESIUM ION, ...
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
6MZU
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BU of 6mzu by Molmil
Cryo-EM structure of the HO BMC shell: BMC-TD focused structure, closed state
分子名称: Microcompartments protein
著者Greber, B.J, Sutter, M, Kerfeld, C.A.
登録日2018-11-05
公開日2019-03-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Plasticity of Molecular Interactions Governs Bacterial Microcompartment Shell Assembly.
Structure, 27, 2019
2BEV
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BU of 2bev by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
分子名称: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE, ...
著者Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
登録日2004-11-30
公開日2006-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
5SXN
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BU of 5sxn by Molmil
Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W.
登録日2016-08-09
公開日2016-11-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
2KNJ
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NMR structure of microplusin a antimicrobial peptide from Rhipicephalus (Boophilus) microplus
分子名称: Microplusin preprotein
著者Pires, J.R, Rezende, C.A, Silva, F.D, Daffre, S.
登録日2009-08-26
公開日2009-10-13
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Structure and mode of action of microplusin, a copper II-chelating antimicrobial peptide from the cattle tick Rhipicephalus (Boophilus) microplus.
J.Biol.Chem., 284, 2009
2BJW
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BU of 2bjw by Molmil
PspF AAA domain
分子名称: PSP OPERON TRANSCRIPTIONAL ACTIVATOR
著者Rappas, M, Schumacher, J, Beuron, F, Niwa, H, Bordes, P, Wigneshweraraj, S, Keetch, C.A, Robinson, C.V, Buck, M, Zhang, X.
登録日2005-02-08
公開日2005-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Insights Into the Activity of Enhancer-Binding Proteins
Science, 307, 2005
1XLK
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MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
6N6X
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BU of 6n6x by Molmil
OXA-23 mutant F110A/M221A neutral pH form imipenem complex
分子名称: Beta-lactamase oxa23, Imipenem, SULFATE ION
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6N09
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BU of 6n09 by Molmil
Cryo-EM structure of the HO BMC shell: subregion classified for BMC-T: TD-TDTDTD
分子名称: Microcompartments protein
著者Greber, B.J, Sutter, M, Kerfeld, C.A.
登録日2018-11-06
公開日2019-03-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The Plasticity of Molecular Interactions Governs Bacterial Microcompartment Shell Assembly.
Structure, 27, 2019
5T0V
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BU of 5t0v by Molmil
Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
分子名称: Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1
著者Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Soderberg, C.A, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
登録日2016-08-16
公開日2016-08-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (17.5 Å)
主引用文献Architecture of the Yeast Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Sub-Complex Formed by the Iron Donor, Yfh1, and the Scaffold, Isu1
J. Biol. Chem., 291, 2016

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