5DF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | Authors: | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-08-26 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
|
|
1ZKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zke by Molmil](/molmil-images/mine/1zke) | 1.6 A Crystal Structure of a Protein HP1531 of Unknown Function from Helicobacter pylori | Descriptor: | Hypothetical protein HP1531, MAGNESIUM ION | Authors: | Zhang, R, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-02 | Release date: | 2005-06-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 1.6A crystal structure of a hypothetical protein HP1531 from Helicobacter pylori 26695 To be Published
|
|
1LPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lpk by Molmil](/molmil-images/mine/1lpk) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-08 | Release date: | 2003-05-08 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa J.Med.Chem., 45, 2002
|
|
2DXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2dxq by Molmil](/molmil-images/mine/2dxq) | Putative acetyltransferase from Agrobacterium tumefaciens str. C58 | Descriptor: | Acetyltransferase, PHOSPHATE ION | Authors: | Binkowski, T.A, Xu, X, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-08-30 | Release date: | 2006-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Putative acetyltransferase from Agrobacterium tumefaciens str. C58 To be published
|
|
6W02
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w02 by Molmil](/molmil-images/mine/6w02) | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in the complex with ADP ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-28 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020
|
|
2X17
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x17 by Molmil](/molmil-images/mine/2x17) | |
1LQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lqd by Molmil](/molmil-images/mine/1lqd) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-10 | Release date: | 2003-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa J.Med.Chem., 45, 2002
|
|
7AZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7azs by Molmil](/molmil-images/mine/7azs) | 70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569 | Descriptor: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ... | Authors: | Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A. | Deposit date: | 2020-11-17 | Release date: | 2022-06-08 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 186, 2023
|
|
2PWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pwq by Molmil](/molmil-images/mine/2pwq) | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii | Descriptor: | Ubiquitin conjugating enzyme | Authors: | Qiu, W, Dong, A, Hassanali, A, Lin, L, Brokx, S, Altamentova, S, Hills, T, Lew, J, Ravichandran, M, Kozieradzki, I, Zhao, Y, Schapira, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-11 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative ubiquitin conjugating enzyme from Plasmodium yoelii. To be Published
|
|
3ZEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zep by Molmil](/molmil-images/mine/3zep) | Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor | Descriptor: | 2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK3 | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | Deposit date: | 2012-12-06 | Release date: | 2013-12-11 | Last modified: | 2016-09-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of a Series of Novel 5H-Pyrrolo[2,3-B]Pyrazine-2-Phenyl Ethers, as Potent Jak3 Kinase Inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
|
|
6T5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t5c by Molmil](/molmil-images/mine/6t5c) | Human Carbonic anhydrase II bound by anthracene-9-sulfonamide | Descriptor: | BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-15 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
|
|
6T97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t97 by Molmil](/molmil-images/mine/6t97) | Trypanothione Reductase from Leismania infantum in complex with TRL190 | Descriptor: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Carriles, A, Hermoso, J.A. | Deposit date: | 2019-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published
|
|
7BIP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bip by Molmil](/molmil-images/mine/7bip) | Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Zhang, L, Zuo, C, Bechthold, A, Einsle, O. | Deposit date: | 2021-01-12 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps. Mol Biotechnol., 63, 2021
|
|
1RVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rvd by Molmil](/molmil-images/mine/1rvd) | H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP | Descriptor: | 3-AMINOBENZOPHENONE-4-YL-AMINOHYDROXYPHOSPHINYLAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION, TRANSFORMING PROTEIN P21/H-RAS-1 | Authors: | Ahmadian, M.R, Zor, T, Vogt, D, Kabsch, W, Selinger, Z, Wittinghofer, A, Scheffzek, K. | Deposit date: | 1999-05-03 | Release date: | 1999-05-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Guanosine triphosphatase stimulation of oncogenic Ras mutants. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
5ERJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5erj by Molmil](/molmil-images/mine/5erj) | |
2PPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ppq by Molmil](/molmil-images/mine/2ppq) | Crystal structure of the homoserine kinase from Agrobacterium tumefaciens | Descriptor: | Homoserine kinase, MAGNESIUM ION, PHOSPHATE ION | Authors: | Zhang, R, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-04-30 | Release date: | 2007-06-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of the homoserine kinase from Agrobacterium tumefaciens. To be Published
|
|
7ZAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zak by Molmil](/molmil-images/mine/7zak) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
|
|
1XPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xpp by Molmil](/molmil-images/mine/1xpp) | Crystal Structure of TA1416,DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum | Descriptor: | ACETIC ACID, DNA-directed RNA polymerase subunit L, FORMIC ACID, ... | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-10-09 | Release date: | 2004-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of TA1416, DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum To be Published
|
|
5G4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g4i by Molmil](/molmil-images/mine/5g4i) | PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ... | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
|
|
3G8I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g8i by Molmil](/molmil-images/mine/3g8i) | Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | Authors: | Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | Deposit date: | 2009-02-12 | Release date: | 2009-06-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes. Bioorg.Med.Chem.Lett., 19, 2009
|
|
5GN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gn6 by Molmil](/molmil-images/mine/5gn6) | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | Deposit date: | 2016-07-19 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei. Faseb J., 33, 2019
|
|
5APJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5apj by Molmil](/molmil-images/mine/5apj) | Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
|
|
2O1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o1z by Molmil](/molmil-images/mine/2o1z) | Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155) | Descriptor: | FE (III) ION, Ribonucleotide Reductase Subunit R2, UNKNOWN ATOM OR ION | Authors: | Dong, A, Tempel, W, Qiu, W, Lew, J, Wernimont, A.K, Lin, Y.H, Hassanali, A, Melone, M, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2006-11-29 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Plasmodium vivax Ribonucleotide Reductase Subunit R2 (Pv086155) To be Published
|
|
4ZFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zfy by Molmil](/molmil-images/mine/4zfy) | Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with ALPHA-METHYL-D-GALACTOSIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, methyl alpha-D-galactopyranoside, ... | Authors: | Chandran, T, Sharma, A, Vijayan, M. | Deposit date: | 2015-04-22 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. J.Biosci., 40, 2015
|
|
4INL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4inl by Molmil](/molmil-images/mine/4inl) | Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution | Descriptor: | Serine protease SplD | Authors: | Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
|
|