1GA9
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![BU of 1ga9 by Molmil](/molmil-images/mine/1ga9) | CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID) | Descriptor: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID, BETA-LACTAMASE, PHOSPHATE ION, ... | Authors: | Tondi, D, Powers, R.A, Caselli, E, Negri, M.C, Blazquez, J, Costi, M.P, Shoichet, B.K. | Deposit date: | 2000-11-29 | Release date: | 2001-07-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem.Biol., 8, 2001
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6HMR
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![BU of 6hmr by Molmil](/molmil-images/mine/6hmr) | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, MALONIC ACID | Authors: | Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. | Deposit date: | 2018-09-12 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
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7G1O
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![BU of 7g1o by Molmil](/molmil-images/mine/7g1o) | Crystal Structure of human FABP4 in complex with 4-chloro-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide | Descriptor: | 4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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5HWW
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![BU of 5hww by Molmil](/molmil-images/mine/5hww) | Crystal structure of PAS1 complexed with 1,2,4-TMB | Descriptor: | 1,2,4-trimethylbenzene, Sensor histidine kinase TodS | Authors: | Hwang, J, Koh, S. | Deposit date: | 2016-01-29 | Release date: | 2016-03-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System. J. Biol. Chem., 291, 2016
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4G48
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![BU of 4g48 by Molmil](/molmil-images/mine/4g48) | Structure of CYP121 in complex with 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol | Descriptor: | 4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Hudson, S.A, McLean, K.J, Surade, S, Yang, Y.-Q, Leys, D, Ciulli, A, Munro, A.W, Abell, C. | Deposit date: | 2012-07-16 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl., 51, 2012
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7RUO
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![BU of 7ruo by Molmil](/molmil-images/mine/7ruo) | Crystal structure of human UTP15 | Descriptor: | U3 small nucleolar RNA-associated protein 15 homolog, UNKNOWN ATOM OR ION | Authors: | Dehghani-Tafti, S, Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-08-17 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human UTP15 To Be Published
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4UJ5
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![BU of 4uj5 by Molmil](/molmil-images/mine/4uj5) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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8CQY
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![BU of 8cqy by Molmil](/molmil-images/mine/8cqy) | Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3 | Authors: | Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity. Front Mol Biosci, 10, 2023
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4UJ4
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![BU of 4uj4 by Molmil](/molmil-images/mine/4uj4) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rab-3A-interacting protein, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of Rab11-FIP3-Rabin8 reveals simultaneous binding of FIP3 and Rabin8 effectors to Rab11. Nat. Struct. Mol. Biol., 22, 2015
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4UJ3
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![BU of 4uj3 by Molmil](/molmil-images/mine/4uj3) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
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4UMV
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![BU of 4umv by Molmil](/molmil-images/mine/4umv) | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE | Descriptor: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | Deposit date: | 2014-05-21 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature, 514, 2014
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2SNS
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![BU of 2sns by Molmil](/molmil-images/mine/2sns) | STAPHYLOCOCCAL NUCLEASE. PROPOSED MECHANISM OF ACTION BASED ON STRUCTURE OF ENZYME-THYMIDINE 3(PRIME),5(PRIME)-BIPHOSPHATE-CALCIUM ION COMPLEX AT 1.5-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Legg, M.J, Cotton, F.A, Hazen Jr, E.E. | Deposit date: | 1982-05-14 | Release date: | 1982-07-29 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Thesis, Texas Agricultural and Mechanical University, 1977
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3O6J
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![BU of 3o6j by Molmil](/molmil-images/mine/3o6j) | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with hydroxyquinol | Descriptor: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, CHLORIDE ION, Chlorocatechol 1,2-dioxygenase, ... | Authors: | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | Deposit date: | 2010-07-29 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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5LL5
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![BU of 5ll5 by Molmil](/molmil-images/mine/5ll5) | Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-26 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
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4UMW
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![BU of 4umw by Molmil](/molmil-images/mine/4umw) | CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE | Descriptor: | MAGNESIUM ION, TETRAFLUOROALUMINATE ION, ZINC-TRANSPORTING ATPASE | Authors: | Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P. | Deposit date: | 2014-05-21 | Release date: | 2014-08-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases. Nature, 514, 2014
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4V0M
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![BU of 4v0m by Molmil](/molmil-images/mine/4v0m) | Crystal structure of BBS1N in complex with ARL6DN | Descriptor: | ARF-LIKE SMALL GTPASE, BARDET-BIEDL SYNDROME 1 PROTEIN, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mourao, A, Lorentzen, E. | Deposit date: | 2014-09-17 | Release date: | 2014-11-19 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Structural Basis for Membrane Targeting of the Bbsome by Arl6 Nat.Struct.Mol.Biol., 21, 2014
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4UV4
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![BU of 4uv4 by Molmil](/molmil-images/mine/4uv4) | Crystal structure of anti-FPR Fpro0165 Fab fragment | Descriptor: | FPRO0165 FAB | Authors: | Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J. | Deposit date: | 2014-08-04 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1. Mabs, 7, 2015
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4V61
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![BU of 4v61 by Molmil](/molmil-images/mine/4v61) | Homology model for the Spinach chloroplast 30S subunit fitted to 9.4A cryo-EM map of the 70S chlororibosome. | Descriptor: | 16S rRNA, 23S rRNA, 4.8S rRNA, ... | Authors: | Sharma, M.R, Wilson, D.N, Datta, P.P, Barat, C, Schluenzen, F, Fucini, P, Agrawal, R.K. | Deposit date: | 2007-11-09 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Cryo-EM study of the spinach chloroplast ribosome reveals the structural and functional roles of plastid-specific ribosomal proteins Proc.Natl.Acad.Sci.Usa, 104, 2007
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6SGE
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![BU of 6sge by Molmil](/molmil-images/mine/6sge) | Crystal structure of Human RHOB-GTP in complex with nanobody B6 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Nanobody B6, ... | Authors: | Soulie, S, Gence, R, Cabantous, S, Lajoie-Mazenc, I, Favre, G, Pedelacq, J.D. | Deposit date: | 2019-08-04 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Targeted Protein Degradation Cell-Based Screening for Nanobodies Selective toward the Cellular RHOB GTP-Bound Conformation. Cell Chem Biol, 26, 2019
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8BRW
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![BU of 8brw by Molmil](/molmil-images/mine/8brw) | Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C | Descriptor: | Methionine--tRNA ligase, ZINC ION | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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8BRX
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![BU of 8brx by Molmil](/molmil-images/mine/8brx) | Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ... | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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8BRV
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![BU of 8brv by Molmil](/molmil-images/mine/8brv) | Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C complexed with beta3-methionine. | Descriptor: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ... | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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8BRU
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![BU of 8bru by Molmil](/molmil-images/mine/8bru) | Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C | Descriptor: | CITRIC ACID, Methionine--tRNA ligase, ZINC ION | Authors: | Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T. | Deposit date: | 2022-11-24 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci., 32, 2023
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7K6I
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![BU of 7k6i by Molmil](/molmil-images/mine/7k6i) | Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | Descriptor: | 4-[({2-[(phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, Singh, S, McKenna, R. | Deposit date: | 2020-09-20 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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7K6X
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![BU of 7k6x by Molmil](/molmil-images/mine/7k6x) | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | Descriptor: | 4-{[(2-{[(3,5-dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Andring, J.T, Singh, S, McKenna, R. | Deposit date: | 2020-09-21 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Handling drug-target selectivity: A study on ureido containing Carbonic Anhydrase inhibitors. Eur.J.Med.Chem., 212, 2021
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