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5WZZ
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BU of 5wzz by Molmil
The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Descriptor: Axin-1, E3 ubiquitin-protein ligase SIAH1, ZINC ION
Authors:Ji, L, Jiang, B, Jiang, X, Charlat, O, Chen, A, Mickanin, C, Bauer, A, Xu, W, Yan, X.-X, Cong, F.
Deposit date:2017-01-19
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Genes Dev., 31, 2017
2YBA
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BU of 2yba by Molmil
Crystal structure of Nurf55 in complex with histone H3
Descriptor: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-11
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
2YB8
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BU of 2yb8 by Molmil
Crystal structure of Nurf55 in complex with Su(z)12
Descriptor: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-18
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
Descriptor: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
Authors:Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
Deposit date:2015-02-02
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
2BOH
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BU of 2boh by Molmil
Crystal structure of factor Xa in complex with compound "1"
Descriptor: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA
Authors: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.
Deposit date:2005-04-11
Release date:2006-04-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
2BQW
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BU of 2bqw by Molmil
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
Descriptor: 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
Authors: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.
Deposit date:2005-04-28
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ...
Authors: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.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
2BQ6
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BU of 2bq6 by Molmil
Crystal structure of factor Xa in complex with 21
Descriptor: 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, ...
Authors: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.
Deposit date:2005-04-27
Release date:2006-04-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
4A7I
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BU of 4a7i by Molmil
Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
Descriptor: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
Authors:Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
Deposit date:2011-11-14
Release date:2012-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
6NUK
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BU of 6nuk by Molmil
De novo designed protein Ferredog-Diesel
Descriptor: Ferredog-Diesel
Authors:Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D.
Deposit date:2019-02-01
Release date:2019-06-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
6MRS
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BU of 6mrs by Molmil
De novo designed protein Peak6
Descriptor: Peak6, SULFATE ION
Authors:Koepnick, B, Boykov, A, Baker, D.
Deposit date:2018-10-15
Release date:2019-06-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
6MRR
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BU of 6mrr by Molmil
De novo designed protein Foldit1
Descriptor: Foldit1
Authors:Koepnick, B, Bick, M.J, Estep, R.D, Kleinfelter, S, Wei, L, Baker, D.
Deposit date:2018-10-15
Release date:2019-06-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
6MSP
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BU of 6msp by Molmil
De novo Designed Protein Foldit3
Descriptor: De novo Designed Protein Foldit3
Authors:Liu, G, Ishida, Y, Swapna, G.V.T, Kleinfelter, S, Koepnick, B, Baker, D, Montelione, G.T.
Deposit date:2018-10-17
Release date:2019-06-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:De novo protein design by citizen scientists.
Nature, 570, 2019
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.173 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
Descriptor: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGV
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BU of 5agv by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
Descriptor: (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ...
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-03
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
Descriptor: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.129 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5LRJ
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BU of 5lrj by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin C complex
Descriptor: Anabaenopeptin C, Carboxypeptidase B, ZINC ION
Authors:Schreuder, H, Liesum, A, Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRK
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BU of 5lrk by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex
Descriptor: Anabaenopeptin F, Carboxypeptidase B, ZINC ION
Authors:Schreuder, H, Liesum, A, Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5LRG
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BU of 5lrg by Molmil
Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin B complex
Descriptor: Anabaenopeptin B, Carboxypeptidase B, ZINC ION
Authors:Schreuder, H, Liesum, A, Loenze, P.
Deposit date:2016-08-19
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
5N5D
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BU of 5n5d by Molmil
Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM
Descriptor: (R,R)-2,3-BUTANEDIOL, GLYCEROL, Methyltransferase, ...
Authors:Pippel, J, Blankenfeldt, W.
Deposit date:2017-02-13
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Total Biosynthesis of the Pyrrolo[4,2]benzodiazepine Scaffold Tomaymycin on an In Vitro Reconstituted NRPS System.
Cell Chem Biol, 24, 2017

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