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4ICL
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HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site
分子名称: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-10
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
2Y1G
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BU of 2y1g by Molmil
X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese.
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A.
登録日2010-12-08
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
4IG0
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BU of 4ig0 by Molmil
HIV-1 reverse transcriptase with bound fragment at the 507 site
分子名称: 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
2BPW
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BU of 2bpw by Molmil
HIV-1 protease-inhibitor complex
分子名称: 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE
著者Munshi, S, Chen, Z.
登録日1998-01-22
公開日1999-02-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.
Acta Crystallogr.,Sect.D, 54, 1998
5CPS
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BU of 5cps by Molmil
Disproportionating enzyme 1 from Arabidopsis - maltotriose soak
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ...
著者O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M.
登録日2015-07-21
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1).
J.Biol.Chem., 290, 2015
3UES
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BU of 3ues by Molmil
Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis complexed with deoxyfuconojirimycin
分子名称: (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, ...
著者Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H.
登録日2011-10-31
公開日2012-04-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
4GAE
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BU of 4gae by Molmil
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
著者Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
登録日2012-07-25
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
5X7Q
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BU of 5x7q by Molmil
Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with maltohexaose
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K.
登録日2017-02-27
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch
Biochem. J., 474, 2017
4OBG
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BU of 4obg by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
1GVF
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BU of 1gvf by Molmil
Structure of tagatose-1,6-bisphosphate aldolase
分子名称: 1,2-ETHANEDIOL, PHOSPHOGLYCOLOHYDROXAMIC ACID, SODIUM ION, ...
著者Hall, D.R, Hunter, W.N.
登録日2002-02-11
公開日2002-06-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of Tagatose-1,6-Bisphosphate Aldolase; Insight Into Chiral Discrimination, Mechanism and Specificity of Class II Aldolases
J.Biol.Chem., 277, 2002
4OBJ
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BU of 4obj by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBF
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BU of 4obf by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
3FB1
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BU of 3fb1 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase in Complex with Ribose-1-Phosphate
分子名称: 1-O-phosphono-alpha-D-ribofuranose, ACETATE ION, Purine-nucleoside phosphorylase
著者Pereira, H.M, Garratt, R.C, Oliva, G.
登録日2008-11-18
公開日2009-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Purine nucleoside phosphorylase from Schistosoma mansoni in complex with ribose-1-phosphate.
J.Synchrotron Radiat., 18, 2011
3VM6
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BU of 3vm6 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1 in complex with alpha-D-ribose-1,5-bisphosphate
分子名称: 1,5-di-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Nakamura, A, Fujihashi, M, Aono, R, Sato, T, Nishiba, Y, Yoshida, S, Yano, A, Atomi, H, Imanaka, T, Miki, K.
登録日2011-12-08
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
J.Biol.Chem., 287, 2012
4OBD
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BU of 4obd by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
著者Kolli, M.
登録日2014-01-07
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
1OIM
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BU of 1oim by Molmil
Family 1 b-glucosidase from Thermotoga maritima
分子名称: 1-DEOXYNOJIRIMYCIN, BETA-GLUCOSIDASE A
著者Gloster, T, Zechel, D.L, Boraston, A.B, Boraston, C.M, Macdonald, J.M, Tilbrook, D.M, Stick, R.V, Davies, G.J.
登録日2003-06-19
公開日2003-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Iminosugar Glycosidase Inhibitors: Structural and Thermodynamic Dissection of the Binding of Isofagomine and 1-Deoxynojirimycin to Beta-Glucosidases
J.Am.Chem.Soc., 125, 2003
1QS4
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BU of 1qs4 by Molmil
Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone
分子名称: 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49))
著者Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R.
登録日1999-06-25
公開日1999-11-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design.
Proc.Natl.Acad.Sci.USA, 96, 1999
3RBB
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BU of 3rbb by Molmil
HIV-1 NEF protein in complex with engineered HCK SH3 domain
分子名称: 1,2-ETHANEDIOL, Protein Nef, Tyrosine-protein kinase HCK
著者Horenkamp, F.A, Schulte, A, Weyand, M, Geyer, M.
登録日2011-03-29
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Conformation of the Dileucine-Based Sorting Motif in HIV-1 Nef Revealed by Intermolecular Domain Assembly.
Traffic, 12, 2011
1H5U
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BU of 1h5u by Molmil
THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG
分子名称: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, ...
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Archontis, G.
登録日2001-05-25
公開日2001-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The 1.76 A Resolution Crystal Structure of Glycogen Phosphorylase B Complexed with Glucose, and Cp320626, a Potential Antidiabetic Drug
Bioorg.Med.Chem., 10, 2002
2QAD
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BU of 2qad by Molmil
Structure of tyrosine-sulfated 412d antibody complexed with HIV-1 YU2 gp120 and CD4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Huang, C.-C, Tang, M, Robinson, J, Wyatt, R, Kwong, P.D.
登録日2007-06-14
公開日2007-09-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4
Science, 317, 2007
3USZ
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BU of 3usz by Molmil
Crystal structure of truncated exo-1,3/1,4-beta-glucanase (EXOP) from Pseudoalteromonas sp. BB1
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-1,3/1,4-beta-glucanase, ...
著者Nakatani, Y, Cutfield, S.M, Cutfield, J.F.
登録日2011-11-24
公開日2011-12-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and activity of exo-1,3/1,4-beta-glucanase from marine bacterium Pseudoalteromonas sp. BB1 showing a novel C-terminal domain
Febs J., 2011
3MHG
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BU of 3mhg by Molmil
Dihydroxyacetone phosphate carbanion intermediate in tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Tagatose 1,6-diphosphate aldolase 2
著者LowKam, C, Liotard, B.
登録日2010-04-07
公開日2010-04-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structure of a class I tagatose-1,6-bisphosphate aldolase: investigation into an apparent loss of stereospecificity.
J.Biol.Chem., 285, 2010
1KLM
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BU of 1klm by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH BHAP U-90152
分子名称: (1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE, HIV-1 REVERSE TRANSCRIPTASE
著者Ren, J, Esnouf, R.M, Stammers, D.K, Stuart, D.I.
登録日1997-03-17
公開日1998-03-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor.
Proc.Natl.Acad.Sci.USA, 94, 1997
3M8Q
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HIV-1 RT with AMINOPYRIMIDINE NNRTI
分子名称: 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2010-03-18
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
4LAJ
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Crystal structure of HIV-1 YU2 envelope gp120 glycoprotein in complex with CD4-mimetic miniprotein, M48U1, and llama single-domain, broadly neutralizing, co-receptor binding site antibody, JM4
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ...
著者Acharya, P, Luongo, T.S, Kwong, P.D.
登録日2013-06-20
公開日2013-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites.
J.Virol., 87, 2013

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