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3MUC
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BU of 3muc by Molmil
MUCONATE CYCLOISOMERASE VARIANT I54V
分子名称: MANGANESE (II) ION, PROTEIN (MUCONATE CYCLOISOMERASE)
著者Schell, U, Helin, S, Kajander, T, Schlomann, M, Goldman, A.
登録日1998-10-27
公開日1999-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the activity of two muconate cycloisomerase variants toward substituted muconates.
Proteins, 34, 1999
3ME3
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BU of 3me3 by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline, Pyruvate kinase isozymes M1/M2, ...
著者Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
4D5V
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BU of 4d5v by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5P
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BU of 4d5p by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylopentaose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-07
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4D5J
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BU of 4d5j by Molmil
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotriose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ...
著者Momeni, M.H, Ubhayasekera, W, Stahlberg, J, Hansson, H.
登録日2014-11-05
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
4DAJ
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BU of 4daj by Molmil
Structure of the M3 Muscarinic Acetylcholine Receptor
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ...
著者Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B.
登録日2012-01-12
公開日2012-02-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
4DD0
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BU of 4dd0 by Molmil
EVAL processed HEWL, cisplatin aqueous glycerol
分子名称: GLYCEROL, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4E0N
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BU of 4e0n by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
著者Zhao, M, Liu, C, Michael, S.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DD2
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BU of 4dd2 by Molmil
EVAL processed HEWL, carboplatin aqueous glycerol
分子名称: GLYCEROL, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4DDC
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BU of 4ddc by Molmil
EVAL processed HEWL, cisplatin DMSO NAG silicone oil
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
3N84
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BU of 3n84 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
分子名称: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
著者Clements, J.H, Martin, S.F.
登録日2010-05-27
公開日2011-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
3N8M
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BU of 3n8m by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with An Acyclic Ligand Having the Sequence pYVNVP
分子名称: GLYCEROL, Growth factor receptor-bound protein 2, PEPTIDE
著者Whiddon, B.B, Clements, J.H, Martin, S.F.
登録日2010-05-28
公開日2010-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
4CSC
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BU of 4csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
分子名称: ACETYL COENZYME *A, CITRATE SYNTHASE, D-MALATE
著者Karpusas, M, Holland, D, Remington, S.J.
登録日1990-05-07
公開日1991-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
3NGV
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BU of 3ngv by Molmil
Crystal structure of AnSt-D7L1
分子名称: D7 protein, GLYCEROL, SULFATE ION
著者Andersen, J.F, Alvarenga, P.H, Francischetti, I.M, Ribeiro, J.M, Calvo, E.
登録日2010-06-13
公開日2010-12-29
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The function and three-dimensional structure of a thromboxane a(2)/cysteinyl leukotriene-binding protein from the saliva of a mosquito vector of the malaria parasite.
Plos Biol., 8, 2010
4CPP
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BU of 4cpp by Molmil
CRYSTAL STRUCTURES OF CYTOCHROME P450-CAM COMPLEXED WITH CAMPHANE, THIOCAMPHOR, AND ADAMANTANE: FACTORS CONTROLLING P450 SUBSTRATE HYDROXYLATION
分子名称: ADAMANTANE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
著者Raag, R, Poulos, T.L.
登録日1990-05-18
公開日1991-07-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation.
Biochemistry, 30, 1991
4DPR
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BU of 4dpr by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor captopril
分子名称: ACETIC ACID, GLYCEROL, L-CAPTOPRIL, ...
著者Stsiapanava, A, Haeggstrom, J.Z, Rinaldo-Matthis, A.
登録日2012-02-14
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Capturing LTA4hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4synthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4E0O
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BU of 4e0o by Molmil
SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form III)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION
著者Zhao, M, Liu, C, Sawaya, M.R, Eisenberg, D.
登録日2012-03-04
公開日2012-12-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DDB
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BU of 4ddb by Molmil
EVAL processed HEWL, cisplatin DMSO paratone pH 6.5
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R.
登録日2012-01-18
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein.
Acta Crystallogr.,Sect.D, 68, 2012
4EJD
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BU of 4ejd by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1 in the outside/top of flap
分子名称: 1H-indole-6-carboxylic acid, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2012-04-06
公開日2013-05-01
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (1.103 Å)
主引用文献Small molecule regulation of protein conformation by binding in the Flap of HIV protease.
Acs Chem.Biol., 8, 2013
4ER4
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BU of 4er4 by Molmil
HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES
分子名称: ENDOTHIAPEPSIN, H-142
著者Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L.
登録日1991-01-05
公開日1991-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
4ER1
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BU of 4er1 by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
分子名称: ENDOTHIAPEPSIN, N-[(1R,2R,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2R)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
著者Quail, J.W, Cooper, J.B, Szelke, M, Blundell, T.L.
登録日1990-10-14
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The active site of aspartic proteinases
FEBS Lett., 174, 1984
3NQV
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BU of 3nqv by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A
分子名称: BENZAMIDINE, deoxyribose phosphate aldolase
著者Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2010-06-29
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
7ALQ
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BU of 7alq by Molmil
human GCH-GFRP inhibitory complex 7-deaza-GTP bound
分子名称: 7,8-DIHYDROBIOPTERIN, 7-deaza-GTP, GTP cyclohydrolase 1, ...
著者Ebenhoch, R, Nar, H.
登録日2020-10-07
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP.
J.Struct.Biol., 213, 2021
3O96
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BU of 3o96 by Molmil
Crystal Structure of Human AKT1 with an Allosteric Inhibitor
分子名称: 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one, RAC-alpha serine/threonine-protein kinase
著者Voegtli, W.C, Wu, W.-I, Lord-Ondash, H.A, Dizon, F.P, Vigers, G.P.A, Brandhuber, B.J.
登録日2010-08-03
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of human AKT1 with an allosteric inhibitor reveals a new mode of kinase inhibition.
Plos One, 5, 2010
3OWE
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Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a High Affinity Mutant Mouse T-cell Receptor Chain
分子名称: Beta-chain, Enterotoxin SEG
著者Fernandez, M.M, Cho, S, Robinson, H, Mariuzza, R.A, Malchiodi, M.L.
登録日2010-09-17
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of staphylococcal enterotoxin G (SEG) in complex with a mouse T-cell receptor {beta} chain.
J.Biol.Chem., 286, 2011

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