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1MM2
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BU of 1mm2 by Molmil
Solution structure of the 2nd PHD domain from Mi2b
分子名称: Mi2-beta, ZINC ION
著者Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P.
登録日2002-09-02
公開日2003-07-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
5QCR
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BU of 5qcr by Molmil
Crystal structure of BACE complex with BMC026
分子名称: 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide, Beta-secretase 1, SULFATE ION
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1GYR
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BU of 1gyr by Molmil
Mutant form of enoyl thioester reductase from Candida tropicalis
分子名称: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, SULFATE ION
著者Airenne, T.T, Torkko, J.M, Van Der Plas, S, Sormunen, R.T, Kastaniotis, A.J, Wierenga, R.K, Hiltunen, J.K.
登録日2002-04-29
公開日2003-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Function Analysis of Enoyl Thioester Reductase Involved in Mitochondrial Maintenance
J.Mol.Biol., 327, 2003
1MQ2
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BU of 1mq2 by Molmil
Human DNA Polymerase Beta Complexed With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine and dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(2DA))-3', ...
著者Krahn, J.M, Beard, W.A, Miller, H, Grollman, A.P, Wilson, S.H.
登録日2002-09-13
公開日2003-01-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of DNA Polymerase beta with the Mutagenic DNA Lesion 8-oxodeoxyguanine Reveals Structural Insights into its Coding Potential
Structure, 11, 2003
1N3K
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BU of 1n3k by Molmil
Solution structure of phosphoprotein enriched in astrocytes 15 kDa (PEA-15)
分子名称: Astrocytic phosphoprotein PEA-15
著者Hill, J.M, Vaidyanathan, H, Ramos, J.W, Ginsberg, M.H, Werner, M.H.
登録日2002-10-28
公開日2003-01-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Recognition of ERK MAP Kinase by PEA-15 Reveals a Common Docking Site Within the Death Domain and Death Effector Domain
Embo J., 21, 2002
5QCZ
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BU of 5qcz by Molmil
Crystal structure of BACE complex with BMC015
分子名称: (4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1GQW
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BU of 1gqw by Molmil
Taurine/alpha-ketoglutarate Dioxygenase from Escherichia coli
分子名称: 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE, ...
著者Elkins, J.M, Ryle, M.J, Clifton, I.J, Dunning-Hotopp, J.C, Lloyd, J.S, Burzlaff, N.I, Baldwin, J.E, Hausinger, R.P, Roach, P.L.
登録日2001-12-05
公開日2002-04-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates
Biochemistry, 41, 2002
1MZR
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BU of 1mzr by Molmil
Structure of dkga from E.coli at 2.13 A resolution solved by molecular replacement
分子名称: 2,5-diketo-D-gluconate reductase A, GLYCEROL, PHOSPHATE ION
著者Abergel, C, Jeudy, S, Monchois, V, Claverie, J.M, Bacterial targets at IGS-CNRS, France (BIGS)
登録日2002-10-09
公開日2003-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Crystal structure of Escherichia coli DkgA, a broad-specificity aldo-keto reductase.
Proteins, 62, 2006
1GQ7
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BU of 1gq7 by Molmil
PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
分子名称: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
著者Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
登録日2001-11-20
公開日2002-06-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Oligomeric structure of proclavaminic acid amidino hydrolase: evolution of a hydrolytic enzyme in clavulanic acid biosynthesis.
Biochem. J., 366, 2002
5QD0
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BU of 5qd0 by Molmil
Crystal structure of BACE complex withBMC006
分子名称: (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1GZE
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BU of 1gze by Molmil
Structure of the Clostridium botulinum C3 exoenzyme (L177C mutant)
分子名称: MERCURY (II) ION, MONO-ADP-RIBOSYLTRANSFERASE C3
著者Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A.
登録日2002-05-21
公開日2002-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme
J.Biol.Chem., 277, 2002
2LCO
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BU of 2lco by Molmil
1H and 15N assignments of WALP19-P8 peptide in SDS micelles
分子名称: WALP19-P8 peptide
著者Vostrikov, V.V, Courtney, J.M, Hinton, J.F, Koeppe II, R.E.
登録日2011-05-02
公開日2012-04-11
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of Proline Substitutions at Positions 8 and 10 in WALP19
To be Published
1MUE
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BU of 1mue by Molmil
Thrombin-Hirugen-L405,426
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.
登録日2002-09-23
公開日2004-04-06
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
1GQ6
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BU of 1gq6 by Molmil
PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS
分子名称: MANGANESE (II) ION, PROCLAVAMINATE AMIDINO HYDROLASE
著者Elkins, J.M, Clifton, I.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Hewitson, K.S.
登録日2001-11-20
公開日2002-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligomeric Structure of Proclavaminic Acid Amidino Hydrolase: Evolution of a Hydrolytic Enzyme in Clavulanic Acid Biosynthesis
Biochem.J., 366, 2002
1GU7
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BU of 1gu7 by Molmil
Enoyl thioester reductase from Candida tropicalis
分子名称: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH, B-SPECIFIC] 1,MITOCHONDRIAL, GLYCEROL, ...
著者Airenne, T.T, Torkko, J.M, Wierenga, R.K, Hiltunen, J.K.
登録日2002-01-24
公開日2003-03-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Function Analysis of Enoyl Thioester Reductase Involved in Mitochondrial Maintenance
J.Mol.Biol., 327, 2003
2L7F
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BU of 2l7f by Molmil
Solution Structure of the Pitx2 Homeodomain
分子名称: Pituitary homeobox 2
著者Doerdelmann, T, Rance, M, Baird-Titus, J.M, Kojetin, D.J.
登録日2010-12-08
公開日2011-12-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the Pitx2 Homeodomain
To be Published
5QCV
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BU of 5qcv by Molmil
Crystal structure of BACE complex with BMC023
分子名称: (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
1H2K
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BU of 1h2k by Molmil
Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
分子名称: FACTOR INHIBITING HIF1, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ...
著者Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
登録日2002-08-12
公開日2002-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1GZF
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BU of 1gzf by Molmil
Structure of the Clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD
分子名称: 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM, ADENOSINE-5'-DIPHOSPHATE, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
著者Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A.
登録日2002-05-21
公開日2002-08-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme
J.Biol.Chem., 277, 2002
1H2M
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BU of 1h2m by Molmil
Factor Inhibiting HIF-1 alpha in complex with HIF-1 alpha fragment peptide
分子名称: FACTOR INHIBITING HIF1, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, N-OXALYLGLYCINE, ...
著者Elkins, J.M, Hewitson, K.S, McNeill, L.A, Schlemminger, I, Seibel, J.F, Schofield, C.J.
登録日2002-08-12
公開日2002-11-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Factor-Inhibiting Hypoxia-Inducible Factor (Hif) Reveals Mechanism of Oxidative Modification of Hif-1Alpha
J.Biol.Chem., 278, 2003
1MU5
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BU of 1mu5 by Molmil
Structure of topoisomerase subunit
分子名称: CALCIUM ION, Type II DNA topoisomerase VI Subunit B
著者Corbett, K.D, Berger, J.M.
登録日2002-09-23
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the topoisomerase VI-B subunit: implications for type II topoisomerase mechanism and evolution
Embo J., 22, 2003
2LCN
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BU of 2lcn by Molmil
1H and 15N assignments of WALP19-P10 peptide in SDS micelles
分子名称: WALP19-P10 peptide
著者Vostrikov, V.V, Courtney, J.M, Hinton, J.F, Koeppe II, R.E.
登録日2011-05-02
公開日2012-04-11
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Comparison of Proline Substitutions at Positions 8 and 10 in WALP19
To be Published
1MX0
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BU of 1mx0 by Molmil
Structure of topoisomerase subunit
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SODIUM ION, ...
著者Corbett, K.D, Berger, J.M.
登録日2002-10-01
公開日2003-01-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the topoisomerase VI-B subunit: implications for type II topoisomerase mechanism and evolution
Embo J., 22, 2003
2LJW
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BU of 2ljw by Molmil
Solution NMR structure of Alr2454 protein from Nostoc sp. strain PCC 7120, Northeast Structural Genomics Consortium Target NsR264
分子名称: Alr2454 protein
著者Aramini, J.M, Lee, D, Ciccosanti, C, Janjua, H, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-29
公開日2011-10-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of Alr2454 from Nostoc sp. PCC 7120, the first structural representative of Pfam domain family PF11267.
J.Struct.Funct.Genom., 13, 2012
2LP6
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BU of 2lp6 by Molmil
Refined Solution NMR Structure of the 50S ribosomal protein L35Ae from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target (NESG) PfR48
分子名称: 50S ribosomal protein L35Ae
著者Snyder, D.A, Aramini, J.M, Yu, B, Huang, Y.J, Xiao, R, Cort, J.R, Shastry, R, Ma, L, Liu, J, Rost, B, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2012-02-02
公開日2012-02-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the ribosomal protein RP-L35Ae from Pyrococcus furiosus.
Proteins, 80, 2012

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