6M7I
| Crystal structure of KPC-2 with compound 3 | Descriptor: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2018-08-20 | Release date: | 2019-04-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery. Acs Infect Dis., 5, 2019
|
|
5LLH
| Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
|
|
6MEW
| RFXANK ankyrin repeats in complex with a RFX7 peptide | Descriptor: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-07 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | RFXANK ankyrin repeats in complex with a RFX7 peptide to be published
|
|
6MF9
| Crystal structure of CGD4-650 with compound BI2536 | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | Authors: | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-10 | Release date: | 2018-10-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.037 Å) | Cite: | Crystal structure of CGD4-650 with compound BI2536 to be published
|
|
2MJB
| Solution nmr structure of ubiquitin refined against dipolar couplings in 4 media | Descriptor: | Ubiquitin-60S ribosomal protein L40 | Authors: | Maltsev, A, Grishaev, A, Roche, J, Zasloff, M, Bax, A. | Deposit date: | 2014-01-02 | Release date: | 2014-03-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase. J.Am.Chem.Soc., 136, 2014
|
|
2Y6C
| The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger | Descriptor: | CALCIUM ION, MATRILYSIN, N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN, ... | Authors: | Edman, K, Furber, M, Hemsley, P, Johansson, C, Pairaudeau, G, Petersen, J, Stocks, M, Tervo, A, Ward, A, Wells, E, Wissler, L. | Deposit date: | 2011-01-20 | Release date: | 2011-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Discovery of Mmp7 Inhibitors Exploiting a Novel Selectivity Trigger. Chemmedchem, 6, 2011
|
|
5LL9
| Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
|
|
6LY4
| The crystal structure of the BM3 mutant LG-23 in complex with testosterone | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | Deposit date: | 2020-02-13 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants. Angew.Chem.Int.Ed.Engl., 59, 2020
|
|
7ZHN
| Crystal structure of TTBK1 in complex with AMG28 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
1J8L
| Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-DNA | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*(C45)P*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Hossain, M.T, Sunami, T, Tsunoda, M, Hikima, T, Chatake, T, Ueno, Y, Matsuda, A, Takenaka, A. | Deposit date: | 2001-05-22 | Release date: | 2001-09-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic studies on damaged DNAs IV. N(4)-methoxycytosine shows a second face for Watson-Crick base-pairing, leading to purine transition mutagenesis. Nucleic Acids Res., 29, 2001
|
|
7ZHQ
| Crystal structure of TTBK1 in complex with compound 10 (7-009) | Descriptor: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
7ZHO
| Crystal structure of TTBK1 in complex with compound 3 (7-001) | Descriptor: | 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
7ZJJ
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379 | Descriptor: | CspZ, NITRATE ION | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7ZJM
| Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7 | Descriptor: | Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6MCO
| Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P23 space group | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ... | Authors: | Kumar, S, Sarkar, A, Wilson, I.A. | Deposit date: | 2018-08-31 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.526 Å) | Cite: | Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide. Nat Commun, 10, 2019
|
|
7ZHP
| Crystal structure of TTBK1 in complex with compound 9 (7-005) | Descriptor: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-04-06 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
|
|
2YHD
| Human androgen receptor in complex with AF2 small molecule inhibitor | Descriptor: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol, ANDROGEN RECEPTOR, SULFATE ION, ... | Authors: | AxerioCilies, P, Lack, N.A, ShashiNayana, M.R, Chan, K.H, Yeung, A, LeBlanc, E, Guns, E, Rennie, P, Cherkasov, A. | Deposit date: | 2011-04-28 | Release date: | 2011-09-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of Androgen Receptor Activation Function-2 (Af2) Site Identified Through Virtual Screening. J.Med.Chem., 54, 2011
|
|
5LER
| Structure of the bacterial sex F pilus (13.2 Angstrom rise) | Descriptor: | Pilin, [(2~{S})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadec-9-enoyloxy-propyl] hexadecanoate | Authors: | Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G. | Deposit date: | 2016-06-30 | Release date: | 2016-11-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex. Cell, 166, 2016
|
|
7VNY
| Rba sphaeroides WT RC-LH1 monomer | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN B, ... | Authors: | Bracun, L, Yamagata, A, Liu, L.N, Shirouzu, M. | Deposit date: | 2021-10-12 | Release date: | 2022-06-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural basis for the assembly and quinone transport mechanisms of the dimeric photosynthetic RC-LH1 supercomplex. Nat Commun, 13, 2022
|
|
7ZJK
| CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408 | Descriptor: | CspZ | Authors: | Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P. | Deposit date: | 2022-04-11 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural evolution of an immune evasion determinant shapes pathogen host tropism. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6M5E
| Human serum albumin with cyclic peptide dalbavancin | Descriptor: | (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid, 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-altropyranuronic acid, ... | Authors: | Ito, S, Senoo, A, Nagatoishi, S, Ohue, M, Yamamoto, M, Tsumoto, K, Wakui, N. | Deposit date: | 2020-03-10 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Binding Mechanism of Human Serum Albumin Complexed with Cyclic Peptide Dalbavancin. J.Med.Chem., 63, 2020
|
|
8Q5P
| Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1 | Descriptor: | Activated CDC42 kinase 1, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ... | Authors: | Mechaly, A, Le Coadou, L, Dupret, J.M, Haouz, A, Rodrigues Lima, F. | Deposit date: | 2023-08-09 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.814 Å) | Cite: | Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2. Biochem.Biophys.Res.Commun., 695, 2024
|
|
2YM2
| SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT REDUCED STATE WITH NADP | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
|
|
6M6C
| CryoEM structure of Thermus thermophilus RNA polymerase elongation complex | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Shi, J, Wen, A, Feng, Y. | Deposit date: | 2020-03-14 | Release date: | 2020-10-14 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of Mfd-dependent transcription termination. Nucleic Acids Res., 48, 2020
|
|
1WZL
| Thermoactinomyces vulgaris R-47 alpha-amylase II (TVA II) mutatnt R469L | Descriptor: | Alpha-amylase II, CALCIUM ION | Authors: | Mizuno, M, Ichikawa, K, Tonozuka, T, Ohtaki, A, Shimura, Y, Kamitori, S, Nishikawa, A, Sakano, Y. | Deposit date: | 2005-03-06 | Release date: | 2005-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mutagenesis and Structural Analysis of Thermoactinomyces vulgaris R-47 alpha-Amylase II (TVA II) To be Published
|
|