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6GXY
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BU of 6gxy by Molmil
Tryparedoxin from Trypanosoma brucei in complex with CFT
分子名称: 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, Tryparedoxin
著者Bader, N, Wagner, A, Hellmich, U, Schindelin, H.
登録日2018-06-27
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angew. Chem. Int. Ed. Engl., 58, 2019
5AMP
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BU of 5amp by Molmil
Geotrichum candidum Cel7A apo structure at 2.1A
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, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-03-11
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZZV
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BU of 4zzv by Molmil
Geotrichum candidum Cel7A apo structure at 1.4A
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, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
6HRS
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BU of 6hrs by Molmil
Structure of the TRPML2 ELD at pH 4.5
分子名称: GLYCEROL, Mucolipin-2
著者Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A, Schindelin, H.
登録日2018-09-28
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain.
Structure, 27, 2019
6H3C
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BU of 6h3c by Molmil
Cryo-EM structure of the BRISC complex bound to SHMT2
分子名称: BRISC and BRCA1-A complex member 1, BRISC and BRCA1-A complex member 2, BRISC complex subunit Abraxas 2, ...
著者Bunker, R.D, Rabl, J, Thoma, N.H.
登録日2018-07-18
公開日2019-07-10
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 75, 2019
6GVW
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BU of 6gvw by Molmil
Crystal structure of the BRCA1-A complex
分子名称: BRCA1-A complex subunit Abraxas 1, BRCA1-A complex subunit RAP80, BRISC and BRCA1-A complex member 1, ...
著者Bunker, R.D, Rabl, J, Thoma, N.H.
登録日2018-06-21
公開日2019-07-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Structural Basis of BRCC36 Function in DNA Repair and Immune Regulation.
Mol.Cell, 75, 2019
6HRR
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BU of 6hrr by Molmil
Structure of the TRPML2 ELD at pH 6.5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
著者Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A.
登録日2018-09-28
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain.
Structure, 27, 2019
4ZZT
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BU of 4zzt by Molmil
Geotrichum candidum Cel7A structure complex with thio-linked cellotriose at 1.56A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL7A, GLYCEROL, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZZW
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BU of 4zzw by Molmil
Geotrichum candidum Cel7A structure complex with cellobiose at 1.5A
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, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
4ZZU
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BU of 4zzu by Molmil
Geotrichum candidum Cel7A structure complex with thio-linked cellotetraose at 1.4A
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, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
6GXG
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BU of 6gxg by Molmil
Tryparedoxin from Trypanosoma brucei in complex with CFT
分子名称: 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin
著者Bader, N, Wagner, A, Hellmich, U, Schindelin, H.
登録日2018-06-27
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes.
Angew. Chem. Int. Ed. Engl., 58, 2019
2BQW
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BU of 2bqw by Molmil
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
分子名称: 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-28
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
3R4B
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BU of 3r4b by Molmil
Crystal Structure of Wild-type HIV-1 Protease in Complex With TMC310911
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate, HIV-1 protease, PHOSPHATE ION
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-03-17
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors.
Antimicrob.Agents Chemother., 55, 2011
2BOH
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BU of 2boh by Molmil
Crystal structure of factor Xa in complex with compound "1"
分子名称: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-11
公開日2006-04-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ7
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BU of 2bq7 by Molmil
Crystal structure of factor Xa in complex with 43
分子名称: CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-27
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
1RAX
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BU of 1rax by Molmil
RA-DOMAIN OF RAL GUANOSINE-NUCLEOTIDE DISSOCIATION STIMULATOR
分子名称: PROTEIN (RA-DOMAIN OF RAL GUANOSINE DISSOCIATION STIMULATOR)
著者Mueller, T.D, Handel, L, Schmieder, P, Oschkinat, H.
登録日1999-03-13
公開日1999-03-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献High-Resolution Structure of the Ra-Domain of Human Ralgds and a Dynamics Study of its Binding Loop to Ras
To be Published
2BQ6
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BU of 2bq6 by Molmil
Crystal structure of factor Xa in complex with 21
分子名称: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-27
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
5O5D
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BU of 5o5d by Molmil
Cellobiohydrolase Cel7A from T. atroviride
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Borisova, A.S, Stahlberg, J, Hansson, H.
登録日2017-06-01
公開日2018-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Biotechnol Biofuels, 11, 2018
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
2M4Q
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BU of 2m4q by Molmil
NMR structure of E. coli ribosomela decoding site with apramycin
分子名称: APRAMYCIN, RNA (27-MER)
著者Puglisi, J.D, Tsai, A, Marshall, R, Viani, E.
登録日2013-02-10
公開日2013-03-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The impact of aminoglycosides on the dynamics of translation elongation.
Cell Rep, 3, 2013
1LAX
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BU of 1lax by Molmil
CRYSTAL STRUCTURE OF MALE31, A DEFECTIVE FOLDING MUTANT OF MALTOSE-BINDING PROTEIN
分子名称: MALTOSE-BINDING PROTEIN MUTANT MALE31, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Saul, F.A, Mourez, M, Vulliez-le Normand, B, Sassoon, N, Bentley, G.A, Betton, J.M.
登録日2002-03-29
公開日2003-03-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a defective folding protein
PROTEIN SCI., 12, 2003
5O59
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BU of 5o59 by Molmil
Cellobiohydrolase Cel7A from T. atroviride
分子名称: 1-thio-beta-D-glucopyranose, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Borisova, A.S, Stahlberg, J, Hansson, H.
登録日2017-06-01
公開日2018-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Correlation of structure, function and protein dynamics in GH7 cellobiohydrolases from Trichoderma atroviride, T. reesei and T. harzianum.
Biotechnol Biofuels, 11, 2018
1NCL
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BU of 1ncl by Molmil
THERMAL STABILITY OF HEXAMERIC AND TETRAMERIC NUCLEOSIDE, DIPHOSPHATE KINASES
分子名称: NUCLEOSIDE DIPHOSPHATE KINASE
著者Janin, J, Morera, S, Lascu, I.
登録日1996-03-22
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thermal stability of hexameric and tetrameric nucleoside diphosphate kinases. Effect of subunit interaction.
J.Biol.Chem., 271, 1996
4OKA
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BU of 4oka by Molmil
Structural-, Kinetic- and Docking Studies of Artificial Imine Reductases Based on the Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
分子名称: IRIDIUM ION, Streptavidin, [N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)
著者Schirmer, T, Heinisch, T.
登録日2014-01-22
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Structural, Kinetic, and Docking Studies of Artificial Imine Reductases Based on Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis
J.Am.Chem.Soc., 136, 2014
3T19
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BU of 3t19 by Molmil
Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011

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