1GHQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ghq by Molmil](/molmil-images/mine/1ghq) | CR2-C3D COMPLEX STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, COMPLEMENT C3, CR2/CD121/C3D/EPSTEIN-BARR VIRUS RECEPTOR, ... | Authors: | Szakonyi, G, Guthridge, J.M, Li, D, Holers, V.M, Chen, X.S. | Deposit date: | 2001-01-11 | Release date: | 2001-06-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of complement receptor 2 in complex with its C3d ligand. Science, 292, 2001
|
|
6Q7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q7c by Molmil](/molmil-images/mine/6q7c) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | Descriptor: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-12-13 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.049 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
1FVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fvv by Molmil](/molmil-images/mine/1fvv) | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | Descriptor: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | Deposit date: | 2000-09-20 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science, 291, 2001
|
|
6QAA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qaa by Molmil](/molmil-images/mine/6qaa) | Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
|
|
4WOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wot by Molmil](/molmil-images/mine/4wot) | ROCK2 IN COMPLEX WITH 1426382-07-1 | Descriptor: | Rho-associated protein kinase 2, methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate | Authors: | Augustin, M, Krapp, S, Boland, S, Defert, O, Bourin, A, Alen, J, Leysen, D. | Deposit date: | 2014-10-16 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. J. Med. Chem., 58, 2015
|
|
6QAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qag by Molmil](/molmil-images/mine/6qag) | ERK2 mini-fragment binding | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
|
|
3Q28
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q28 by Molmil](/molmil-images/mine/3q28) | Cyrstal structure of human alpha-synuclein (58-79) fused to maltose binding protein (MBP) | Descriptor: | Maltose-binding periplasmic protein/alpha-synuclein chimeric protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhao, M, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2010-12-19 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of segments of alpha-synuclein fused to maltose-binding protein suggest intermediate states during amyloid formation Protein Sci., 20, 2011
|
|
1GJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gjo by Molmil](/molmil-images/mine/1gjo) | The FGFr2 tyrosine kinase domain | Descriptor: | FIBROBLAST GROWTH FACTOR RECEPTOR 2, SULFATE ION | Authors: | Ceska, T.A, Owens, R, Doyle, C, Hamlyn, P, Crabbe, T, Moffat, D, Davis, J, Martin, R, Perry, M.J. | Deposit date: | 2001-07-31 | Release date: | 2003-08-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Fgfr2 Tyrosine Kinase Domain To be Published
|
|
6ZNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6znv by Molmil](/molmil-images/mine/6znv) | Protein polybromo-1 (PB1 BD2) Bound To DP28 | Descriptor: | 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | Deposit date: | 2020-07-06 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
|
|
1G0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g0o by Molmil](/molmil-images/mine/1g0o) | STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND PYROQUILON | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PYROQUILON, TRIHYDROXYNAPHTHALENE REDUCTASE | Authors: | Liao, D, Basarab, G.S, Gatenby, A.A, Valent, B, Jordan, D.B. | Deposit date: | 2000-10-06 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis. Structure, 9, 2001
|
|
1G1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1g1f by Molmil](/molmil-images/mine/1g1f) | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH A TRI-PHOSPHORYLATED PEPTIDE (RDI(PTR)ETD(PTR)(PTR)RK) FROM THE INSULIN RECEPTOR KINASE | Descriptor: | PROTEIN TYROSINE PHOSPHATASE 1B, TRI-PHOSPHORYLATED PEPTIDE FROM THE INSULIN RECEPTOR KINASE | Authors: | Salmeen, A, Andersen, J.N, Myers, M.P, Tonks, N.K, Barford, D. | Deposit date: | 2000-10-11 | Release date: | 2001-01-17 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis for the dephosphorylation of the activation segment of the insulin receptor by protein tyrosine phosphatase 1B. Mol.Cell, 6, 2000
|
|
4X6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x6j by Molmil](/molmil-images/mine/4x6j) | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | Descriptor: | 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, CHLORIDE ION, Cathepsin K, ... | Authors: | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | Deposit date: | 2014-12-08 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. J.Med.Chem., 58, 2015
|
|
6OF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6of5 by Molmil](/molmil-images/mine/6of5) | The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ... | Authors: | Feder, D, Schenk, G, Guddat, L.W, Hussein, W.M, McGeary, R.P. | Deposit date: | 2019-03-28 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis. Eur.J.Med.Chem., 182, 2019
|
|
4R5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r5n by Molmil](/molmil-images/mine/4r5n) | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors | Descriptor: | (4R,4a'S,10a'R)-8'-(2-fluoropyridin-3-yl)-4a'-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[1,3-oxazole-4,10'-pyrano[3,2-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2014-08-21 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 8-Tetrahydropyran-2-yl Chromans: Highly Selective Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors. J.Med.Chem., 57, 2014
|
|
6OI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oi3 by Molmil](/molmil-images/mine/6oi3) | Crystal structure of human WDR5 in complex with monomethyl H3R2 peptide | Descriptor: | GLYCEROL, Monomethyl H3R2 peptide, SULFATE ION, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
|
|
4WJA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wja by Molmil](/molmil-images/mine/4wja) | Crystal Structure of PAXX | Descriptor: | Uncharacterized protein C9orf142 | Authors: | Xing, M, Yang, M, Huo, W, Feng, F, Wei, L, Ning, S, Yan, Z, Li, W, Wang, Q, Hou, M, Dong, C, Guo, R, Gao, G, Ji, J, Lan, L, Liang, H, Xu, D. | Deposit date: | 2014-09-29 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interactome analysis identifies a new paralogue of XRCC4 in non-homologous end joining DNA repair pathway. Nat Commun, 6, 2015
|
|
8ERW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8erw by Molmil](/molmil-images/mine/8erw) | Precisely patterned nanofibers made from extendable protein multiplexes | Descriptor: | C2HR4_8r | Authors: | Bick, M.J, Parmeggiani, F, Bethel, N.P, Sankaran, B, Baker, D. | Deposit date: | 2022-10-12 | Release date: | 2023-08-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Precisely patterned nanofibres made from extendable protein multiplexes. Nat.Chem., 15, 2023
|
|
8EO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eo5 by Molmil](/molmil-images/mine/8eo5) | Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRA-5 | Authors: | Power, P, D'Amico Gonzalez, G, Centron, D, Gutkind, G, Handelsman, J, Klinke, S. | Deposit date: | 2022-10-02 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published
|
|
1GD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gd5 by Molmil](/molmil-images/mine/1gd5) | SOLUTION STRUCTURE OF THE PX DOMAIN FROM HUMAN P47PHOX NADPH OXIDASE | Descriptor: | NEUTROPHIL CYTOSOL FACTOR 1 | Authors: | Hiroaki, H, Ago, T, Ito, T, Sumimoto, H, Kohda, D. | Deposit date: | 2000-09-14 | Release date: | 2001-06-13 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the PX domain, a target of the SH3 domain. Nat.Struct.Biol., 8, 2001
|
|
1GMN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gmn by Molmil](/molmil-images/mine/1gmn) | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR | Authors: | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | Deposit date: | 2001-09-19 | Release date: | 2001-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor Embo J., 20, 2001
|
|
4WZ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wz9 by Molmil](/molmil-images/mine/4wz9) | APN1 from Anopheles gambiae | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, AGAP004809-PA, ALA-ALA-ALA-LYS-ALA, ... | Authors: | Atkinson, S.C, Armistead, J.S, Mathias, D.K, Sandeu, M.M, Tao, D, Borhani-Dizaji, N, Morlais, I, Dinglasan, R.R, Borg, N.A. | Deposit date: | 2014-11-19 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Anopheles-midgut APN1 structure reveals a new malaria transmission-blocking vaccine epitope. Nat.Struct.Mol.Biol., 22, 2015
|
|
1S0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1s0w by Molmil](/molmil-images/mine/1s0w) | |
4X2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x2k by Molmil](/molmil-images/mine/4x2k) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
|
|
1GKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gkn by Molmil](/molmil-images/mine/1gkn) | Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35) | Descriptor: | COMPLEMENT RECEPTOR TYPE 1 | Authors: | Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N. | Deposit date: | 2001-08-16 | Release date: | 2002-04-18 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor Cell(Cambridge,Mass.), 108, 2002
|
|
1GN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gn0 by Molmil](/molmil-images/mine/1gn0) | Escherichia coli GlpE sulfurtransferase soaked with KCN | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE | Authors: | Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D. | Deposit date: | 2001-10-01 | Release date: | 2001-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily Structure, 9, 2001
|
|