3W9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w9z by Molmil](/molmil-images/mine/3w9z) | Crystal structure of DusC | Descriptor: | FLAVIN MONONUCLEOTIDE, tRNA-dihydrouridine synthase C | Authors: | Chen, M, Yu, J, Tanaka, Y, Tanaka, I, Yao, M. | Deposit date: | 2013-04-19 | Release date: | 2013-07-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of dihydrouridine synthase C (DusC) from Escherichia coli Acta Crystallogr.,Sect.F, 69, 2013
|
|
3W95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3w95 by Molmil](/molmil-images/mine/3w95) | |
3WC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wc6 by Molmil](/molmil-images/mine/3wc6) | Carboxypeptidase B in complex with 2nd zinc | Descriptor: | ACETATE ION, Carboxypeptidase B, ZINC ION | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | Deposit date: | 2013-05-24 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme. J.Med.Chem., 56, 2013
|
|
3WZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wz8 by Molmil](/molmil-images/mine/3wz8) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
3WYD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wyd by Molmil](/molmil-images/mine/3wyd) | |
3WZ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wz6 by Molmil](/molmil-images/mine/3wz6) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.404 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
3ZQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zqs by Molmil](/molmil-images/mine/3zqs) | Human FANCL central domain | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE FANCL, HEXAETHYLENE GLYCOL, PROLINE, ... | Authors: | Hodson, C, Cole, A.R, Purkiss-Trew, A, Walden, H. | Deposit date: | 2011-06-10 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Human Fancl, the E3 Ligase in the Fanconi Anemia Pathway. J.Biol.Chem., 286, 2011
|
|
3WZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wz7 by Molmil](/molmil-images/mine/3wz7) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (6) | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | Authors: | Kuhnert, M, Steuber, H, Diederich, W.E. | Deposit date: | 2014-09-19 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4AGP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agp by Molmil](/molmil-images/mine/4agp) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5176 | Descriptor: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
4AJ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aj8 by Molmil](/molmil-images/mine/4aj8) | Crystallographic structure of thioredoxin from Litopenaeus vannamei (partially reduced). | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei Acta Crystallogr.,Sect.F, 69, 2013
|
|
4AGL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agl by Molmil](/molmil-images/mine/4agl) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan784 | Descriptor: | 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
4A3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a3y by Molmil](/molmil-images/mine/4a3y) | Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway | Descriptor: | GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | Authors: | Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J. | Deposit date: | 2011-10-06 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity. Acs Chem.Biol., 7, 2012
|
|
4ADQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4adq by Molmil](/molmil-images/mine/4adq) | CRYSTAL STRUCTURE OF THE MOUSE COLONY-STIMULATING FACTOR 1 (MCSF-1) CYTOKINE IN COMPLEX WITH THE VIRAL RECEPTOR BARF1 | Descriptor: | MACROPHAGE COLONY-STIMULATING FACTOR 1, SECRETED PROTEIN BARF1, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Elegheert, J, Bracke, N, Savvides, S.N. | Deposit date: | 2012-01-02 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Allosteric Competitive Inactivation of Hematopoietic Csf-1 Signaling by the Viral Decoy Receptor Barf1. Nat.Struct.Mol.Biol., 19, 2012
|
|
4AJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aj6 by Molmil](/molmil-images/mine/4aj6) | Crystallographic structure of thioredoxin from Litopenaeus vannamei (reduced form). | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, GLYCEROL, ... | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | Deposit date: | 2012-02-15 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei Acta Crystallogr.,Sect.F, 69, 2013
|
|
4AGQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agq by Molmil](/molmil-images/mine/4agq) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196 | Descriptor: | 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
4AJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aj7 by Molmil](/molmil-images/mine/4aj7) | Crystallographic structure of thioredoxin from Litopenaeus vannamei (oxidized form). | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Campos-Acevedo, A.A, Sotelo-Mundo, R.R, Rudino-Pinera, E. | Deposit date: | 2012-02-15 | Release date: | 2013-03-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.035 Å) | Cite: | Expression, Purification, Crystallization and X-Ray Crystallographic Studies of Different Redox States of the Active Site of Thioredoxin 1 from the Whiteleg Shrimp Litopenaeus Vannamei Acta Crystallogr.,Sect.F, 69, 2013
|
|
4AGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agf by Molmil](/molmil-images/mine/4agf) | |
4A14
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a14 by Molmil](/molmil-images/mine/4a14) | HUMAN KIF7, A KINESIN INVOLVED IN HEDGEHOG SIGNALLING | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF7, MAGNESIUM ION | Authors: | Klejnot, M, Kozielski, F. | Deposit date: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Insights Into Human Kif7, a Kinesin Involved in Hedgehog Signalling. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4ADF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4adf by Molmil](/molmil-images/mine/4adf) | CRYSTAL STRUCTURE OF THE HUMAN COLONY-STIMULATING FACTOR 1 (hCSF-1) CYTOKINE IN COMPLEX WITH THE VIRAL RECEPTOR BARF1 | Descriptor: | MACROPHAGE COLONY-STIMULATING FACTOR 1, SECRETED PROTEIN BARF1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Elegheert, J, Bracke, N, Savvides, S.N. | Deposit date: | 2011-12-23 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Allosteric Competitive Inactivation of Hematopoietic Csf-1 Signaling by the Viral Decoy Receptor Barf1. Nat.Struct.Mol.Biol., 19, 2012
|
|
4AGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agn by Molmil](/molmil-images/mine/4agn) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 | Descriptor: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
4AGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4agm by Molmil](/molmil-images/mine/4agm) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | Descriptor: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | Authors: | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | Deposit date: | 2012-01-30 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
|
|
3ZX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zx6 by Molmil](/molmil-images/mine/3zx6) | Structure of Hamp(AF1503)-Tsr fusion - Hamp (A291V) mutant | Descriptor: | CHLORIDE ION, HAMP, METHYL-ACCEPTING CHEMOTAXIS PROTEIN I | Authors: | Zeth, K, Ferris, H.U, Lupas, A.L. | Deposit date: | 2011-08-08 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Axial Helix Rotation as a Mechanism for Signal Regulation Inferred from the Crystallographic Analysis of the E. Coli Serine Chemoreceptor. J.Struct.Biol., 186, 2014
|
|
4B6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4b6d by Molmil](/molmil-images/mine/4b6d) | Structure of the atypical C1 domain of MgcRacGAP | Descriptor: | GLYCEROL, RAC GTPASE-ACTIVATING PROTEIN 1, ZINC ION | Authors: | Pye, V.E, Lekomtsev, S, Petronczki, M, Cherepanov, P. | Deposit date: | 2012-08-09 | Release date: | 2012-12-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Centralspindlin Links the Mitotic Spindle to the Plasma Membrane During Cytokinesis. Nature, 492, 2012
|
|
4AY6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ay6 by Molmil](/molmil-images/mine/4ay6) | Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ... | Authors: | Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F. | Deposit date: | 2012-06-18 | Release date: | 2012-10-24 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis Nat.Chem.Biol., 8, 2012
|
|
3ZM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zm5 by Molmil](/molmil-images/mine/3zm5) | CRYSTAL STRUCTURE OF MURF LIGASE IN COMPLEX WITH CYANOTHIOPHENE INHIBITOR | Descriptor: | 2,4-bis(chloranyl)-N-[3-cyano-6-[(4-hydroxyphenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-5-morpholin-4-ylsulfonyl-benzamide, UDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE | Authors: | Hrast, M, Turk, S, Sosic, I, Knez, D, Randall, C.P, Barreteau, H, Contreras-Martel, C, Dessen, A, ONeill, A.J, Mengin-Lecreulx, D, Blanot, D, Gobec, S. | Deposit date: | 2013-02-05 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure-Activity Relationships of New Cyanothiophene Inhibitors of the Essential Peptidoglycan Biosynthesis Enzyme Murf. Eur.J.Med.Chem., 66C, 2013
|
|