7A5M
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![BU of 7a5m by Molmil](/molmil-images/mine/7a5m) | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe | Descriptor: | Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Roske, Y. | Deposit date: | 2020-08-21 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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3F9V
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![BU of 3f9v by Molmil](/molmil-images/mine/3f9v) | Crystal Structure Of A Near Full-Length Archaeal MCM: Functional Insights For An AAA+ Hexameric Helicase | Descriptor: | Minichromosome maintenance protein MCM | Authors: | Chen, X.J, Brewster, A.S, Wang, G.G, Yu, X, Greenleaf, W, Tjajadi, M, Klein, M. | Deposit date: | 2008-11-14 | Release date: | 2008-12-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (4.35 Å) | Cite: | Crystal structure of a near-full-length archaeal MCM: Functional insights for an AAA+ hexameric helicase. Proc.Natl.Acad.Sci.USA, 105, 2008
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2JSA
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![BU of 2jsa by Molmil](/molmil-images/mine/2jsa) | |
2JS9
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6G25
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![BU of 6g25 by Molmil](/molmil-images/mine/6g25) | X-ray structure of NSD3-PWWP1 in complex with compound 4 | Descriptor: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.432 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2B
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![BU of 6g2b by Molmil](/molmil-images/mine/6g2b) | X-ray structure of NSD3-PWWP1 in complex with compound 8 | Descriptor: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2O
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![BU of 6g2o by Molmil](/molmil-images/mine/6g2o) | X-ray structure of NSD3-PWWP1 in complex with compound BI-9321 | Descriptor: | Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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5K8Z
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![BU of 5k8z by Molmil](/molmil-images/mine/5k8z) | Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 8.5) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Chlorite dismutase, ... | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies. ACS Catal, 7, 2017
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6G27
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![BU of 6g27 by Molmil](/molmil-images/mine/6g27) | X-ray structure of NSD3-PWWP1 in complex with compound 5 | Descriptor: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G29
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![BU of 6g29 by Molmil](/molmil-images/mine/6g29) | X-ray structure of NSD3-PWWP1 in complex with compound 6 | Descriptor: | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2E
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![BU of 6g2e by Molmil](/molmil-images/mine/6g2e) | X-ray structure of NSD3-PWWP1 in complex with compound 13 | Descriptor: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G3T
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![BU of 6g3t by Molmil](/molmil-images/mine/6g3t) | X-ray structure of NSD3-PWWP1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-26 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2F
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![BU of 6g2f by Molmil](/molmil-images/mine/6g2f) | X-ray structure of NSD3-PWWP1 in complex with compound 16 | Descriptor: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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5K91
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![BU of 5k91 by Molmil](/molmil-images/mine/5k91) | Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride | Descriptor: | Chlorite dismutase, FLUORIDE ION, GLYCEROL, ... | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies. ACS Catal, 7, 2017
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6G3P
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5K90
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![BU of 5k90 by Molmil](/molmil-images/mine/5k90) | Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with isothiocyanate | Descriptor: | Chlorite dismutase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Puehringer, D, Schaffner, I, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Molecular Mechanism of Enzymatic Chlorite Detoxification: Insights from Structural and Kinetic Studies. ACS Catal, 7, 2017
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5M4J
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![BU of 5m4j by Molmil](/molmil-images/mine/5m4j) | Crystal Structure of Wild-Type Human Prolidase with GlyPro ligand | Descriptor: | GLYCEROL, GLYCINE, PROLINE, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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5M4L
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![BU of 5m4l by Molmil](/molmil-images/mine/5m4l) | Crystal Structure of Wild-Type Human Prolidase with Mg ions and LeuPro ligand | Descriptor: | GLYCEROL, HYDROXIDE ION, LEUCINE, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2020-04-22 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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5M4G
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![BU of 5m4g by Molmil](/molmil-images/mine/5m4g) | Crystal Structure of Wild-Type Human Prolidase with Mn ions | Descriptor: | GLYCEROL, HYDROXIDE ION, MANGANESE (II) ION, ... | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | Deposit date: | 2016-10-18 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Substrate specificity and reaction mechanism of human prolidase. FEBS J., 284, 2017
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5FLV
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![BU of 5flv by Molmil](/molmil-images/mine/5flv) | Crystal structure of NKX2-5 and TBX5 bound to the Nppa promoter region | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP *GP*TP*GP*AP*GP*AP*AP*G)-3', 5'-D(*TP*CP*TP*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP *TP*GP*AP*AP*GP*TP*GP*G)-3', HOMEOBOX PROTEIN NKX-2.5, ... | Authors: | Stirnimann, C.U, Glatt, S, Mueller, C.W. | Deposit date: | 2015-10-28 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Complex Interdependence Regulates Heterotypic Transcription Factor Distribution and Coordinates Cardiogenesis. Cell(Cambridge,Mass.), 164, 2016
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6DMF
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![BU of 6dmf by Molmil](/molmil-images/mine/6dmf) | |
1H1A
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![BU of 1h1a by Molmil](/molmil-images/mine/1h1a) | Thermophilic beta-1,4-xylanase from Chaetomium thermophilum | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Hakulinen, N, Rouvinen, J. | Deposit date: | 2002-07-05 | Release date: | 2003-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Three-Dimensional Structures of Thermophilic Beta-1,4-Xylanases from Chaetomium Thermophilum and Nonomuraea Flexuosa. Comparison of Twelve Xylanases in Relation to Their Thermal Stability. Eur.J.Biochem., 270, 2003
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4Y3E
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![BU of 4y3e by Molmil](/molmil-images/mine/4y3e) | Endothiapepsin in complex with fragment 5 | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4U
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![BU of 4y4u by Molmil](/molmil-images/mine/4y4u) | Endothiapepsin in complex with fragment 14 | Descriptor: | 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.754 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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6E61
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![BU of 6e61 by Molmil](/molmil-images/mine/6e61) | Bacteroides ovatus mixed-linkage glucan utilization locus (MLGUL) SGBP-A in complex with mixed-linkage heptasaccharide | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | Authors: | Tamura, K, Gardill, B.R, Brumer, H, Van Petegem, F. | Deposit date: | 2018-07-23 | Release date: | 2019-05-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Surface glycan-binding proteins are essential for cereal beta-glucan utilization by the human gut symbiont Bacteroides ovatus. Cell.Mol.Life Sci., 76, 2019
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