2V84
| Crystal Structure of the Tp0655 (TpPotD) Lipoprotein of Treponema pallidum | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SPERMIDINE/PUTRESCINE ABC TRANSPORTER, ... | Authors: | Machius, M, Brautigam, C.A, Tomchick, D.R, Ward, P, Otwinowski, Z, Blevine, J.S, Deka, R.K, Norgard, M.V. | Deposit date: | 2007-08-02 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and Biochemical Basis for Polyamine Binding to the Tp0655 Lipoprotein of Treponema Pallidum: Putative Role for Tp0655 (Tppotd) as a Polyamine Receptor. J.Mol.Biol., 373, 2007
|
|
2VEP
| Crystal Structure Of The Full Length Bifunctional Enzyme Pria | Descriptor: | PHOSPHORIBOSYL ISOMERASE A, SULFATE ION | Authors: | Wright, H, Noda-Garcia, L, Ochoa-Leyva, A, Hodgson, D.A, Fulop, V, Barona-Gomez, F. | Deposit date: | 2007-10-25 | Release date: | 2007-11-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure/Function Relationship of a Dual Substrate (Betaalpha)(8)-Isomerase Biochem.Biophys.Res.Commun., 365, 2008
|
|
2VG6
| Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | Deposit date: | 2007-11-08 | Release date: | 2007-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors. Biochem.Biophys.Res.Commun., 365, 2008
|
|
5JXP
| Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation | Descriptor: | Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION | Authors: | Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A. | Deposit date: | 2016-05-13 | Release date: | 2017-06-14 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Bacterial protease uses distinct thermodynamic signatures for substrate recognition. Sci Rep, 7, 2017
|
|
6PPX
| |
7SPM
| Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses). | Descriptor: | DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2021-11-02 | Release date: | 2021-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA Crystals, 12, 2022
|
|
4IDP
| human atlastin-1 1-446, N440T, GppNHp | Descriptor: | Atlastin-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | Deposit date: | 2012-12-12 | Release date: | 2013-01-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.587 Å) | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin. Embo J., 32, 2013
|
|
1JHH
| LEXA S119A MUTANT | Descriptor: | LEXA REPRESSOR, SULFATE ION | Authors: | Luo, Y, Pfuetzner, R.A, Mosimann, S, Little, J.W, Strynadka, N.C.J. | Deposit date: | 2001-06-27 | Release date: | 2001-09-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of LexA: a conformational switch for regulation of self-cleavage. Cell(Cambridge,Mass.), 106, 2001
|
|
5K4X
| M. thermoresistible IMPDH in complex with IMP and Compound 1 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Pacitto, A, Ascher, D.B, Blundell, T.L. | Deposit date: | 2016-05-22 | Release date: | 2016-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect Dis, 3, 2017
|
|
5DC4
| CRYSTAL STRUCTURE OF MONOBODY AS25/ABL1 SH2 DOMAIN COMPLEX, CRYSTAL A | Descriptor: | AS25 monobody, GLYCEROL, Tyrosine-protein kinase ABL1 | Authors: | Wojcik, J.B, Koide, A, Koide, S. | Deposit date: | 2015-08-23 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Allosteric Inhibition of Bcr-Abl Kinase by High Affinity Monobody Inhibitors Directed to the Src Homology 2 (SH2)-Kinase Interface. J.Biol.Chem., 291, 2016
|
|
8HYI
| Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine | Descriptor: | 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ... | Authors: | Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. | Deposit date: | 2023-01-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion. Protein Sci., 32, 2023
|
|
5K09
| Crystal Structure of COMT in complex with a thiazole ligand | Descriptor: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
|
|
5K39
| THE TYPE II COHESIN DOCKERIN COMPLEX FROM CLOSTRIDIUM THERMOCELLUM | Descriptor: | CALCIUM ION, Cellulosome anchoring protein cohesin region, Dockerin module from a protein of unknown function | Authors: | Viegas, A, Pinheiro, B, Bras, J.L.A, Romao, M.J, Alves, V, Carvalho, A.L, Fontes, C.M.G.A. | Deposit date: | 2016-05-19 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
|
|
2VYA
| Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | Deposit date: | 2008-07-22 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion. Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
6CJV
| Carbonic anhydrase IX-mimic in complex with sucralose | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION | Authors: | Lomelino, C.L, Murray, A.B, McKenna, R. | Deposit date: | 2018-02-26 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett, 9, 2018
|
|
7AOS
| crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator | Descriptor: | 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid, 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, GLYCEROL, ... | Authors: | le Maire, A, Guee, L, Bourguet, W. | Deposit date: | 2020-10-15 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol., 433, 2021
|
|
6VLC
| |
6P7Z
| |
5KAT
| The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM | Descriptor: | GLYCEROL, SA2223 protein, TETRAPHENYLPHOSPHONIUM | Authors: | Moreno, A, Wade, H. | Deposit date: | 2016-06-02 | Release date: | 2016-08-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins. Biochemistry, 55, 2016
|
|
3WYP
| Crystal structure of wild-type core streptavidin in complex with D-biotin/biotin-D-sulfoxide at 1.3 A resolution | Descriptor: | BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ... | Authors: | Kawato, T, Mizohata, E, Meshizuka, T, Doi, H, Kawamura, T, Matsumura, H, Yumura, K, Tsumoto, K, Kodama, T, Inoue, T, Sugiyama, A. | Deposit date: | 2014-09-05 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of streptavidin mutant with low immunogenicity. J.Biosci.Bioeng., 119, 2015
|
|
6VLG
| Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP | Descriptor: | Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
|
|
3E7M
| Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
|
|
6VM8
| |
7ATV
| Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | Deposit date: | 2020-10-31 | Release date: | 2021-08-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
|
|
1TG7
| Native structure of beta-galactosidase from Penicillium sp. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rojas, A.L, Nagem, R.A.P, Neustroev, K.N, Arand, M, Adamska, M, Eneyskaya, E.V, Kulminskaya, A.A, Garratt, R.C, Golubev, A.M, Polikarpov, I. | Deposit date: | 2004-05-28 | Release date: | 2004-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of beta-Galactosidase from Penicillium sp. and its Complex with Galactose J.Mol.Biol., 343, 2004
|
|