6EDD
 
 | | Crystal structure of a GNAT Superfamily PA3944 acetyltransferase in complex with CoA (P1 space group) | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyltransferase PA3944, ... | | Authors: | Czub, M.P, Porebski, P.J, Majorek, K.A, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-08-09 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
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8ADS
 | | Lipidic alpha-synuclein fibril - polymorph L2B | | Descriptor: | Alpha-synuclein | | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | | Deposit date: | 2022-07-11 | | Release date: | 2022-10-12 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein.
Nat Commun, 13, 2022
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8AC1
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6EDV
 | | Structure of a GNAT superfamily acetyltransferase PA3944 in complex with CoA | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase PA3944, CALCIUM ION, ... | | Authors: | Majorek, K.A, Satchell, K.J.F, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-08-12 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A Gcn5-Related N-Acetyltransferase (GNAT) Capable of Acetylating Polymyxin B and Colistin Antibiotics in Vitro.
Biochemistry, 57, 2018
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6I1R
 | | Crystal structure of CMP bound CST in an outward facing conformation | | Descriptor: | CMP-sialic acid transporter 1, CYTIDINE-5'-MONOPHOSPHATE | | Authors: | Nji, E, Gulati, A, Qureshi, A.A, Drew, D. | | Deposit date: | 2018-10-30 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the delivery of activated sialic acid into Golgi for sialyation.
Nat.Struct.Mol.Biol., 26, 2019
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5K33
 | | Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ... | | Authors: | Humm, A, Lobner, E, Goritzer, K, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | | Deposit date: | 2016-05-19 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies.
Structure, 25, 2017
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7RDY
 | | SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC - engaged class | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ... | | Authors: | Chen, J, Malone, B, Campbell, E.A, Darst, S.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
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4RGC
 | | 277K Crystal structure of Escherichia Coli dihydrofolate reductase | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... | | Authors: | Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C. | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6I4L
 | | Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ... | | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | Deposit date: | 2018-11-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
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6ROP
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6ROL
 | | Structure of IMP2 KH34 domains | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ... | | Authors: | Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A. | | Deposit date: | 2019-05-13 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structural basis for RNA selectivity by the IMP family of RNA-binding proteins.
Nat Commun, 10, 2019
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6I5C
 | | Long wavelength native-SAD phasing of Tubulin-Stathmin-TTL complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | | Deposit date: | 2018-11-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
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6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | Descriptor: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | Authors: | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | Deposit date: | 2019-08-13 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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6UBL
 | | Structure of DynF from the Dynemicin Biosynthesis Pathway of Micromonospora chersina | | Descriptor: | DynF, PALMITIC ACID | | Authors: | Kosgei, A.J, Miller, M.D, Xu, W, Bhardwaj, M, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2019-09-12 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina.
Acta Crystallogr.,Sect.F, 78, 2022
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5JWO
 | | Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC from Thermosynechococcus elongatus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC | | Authors: | Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L. | | Deposit date: | 2016-05-12 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
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4QT3
 | | Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, FK506-binding protein (FKBP)-type peptidyl-propyl isomerase, RAPAMYCIN IMMUNOSUPPRESSANT DRUG | | Authors: | Bianchin, A, Allemand, F, Bell, A, Chubb, A.J, Guichou, J.-F. | | Deposit date: | 2014-07-07 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Two crystal structures of the FK506-binding domain of Plasmodium falciparum FKBP35 in complex with rapamycin at high resolution
Acta Crystallogr.,Sect.D, 71, 2015
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6OOV
 | | Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA | | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-23 | | Release date: | 2019-05-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
To Be Published
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4R1Y
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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6EEB
 | | Calmodulin in complex with malbrancheamide | | Descriptor: | (5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CALCIUM ION, Calmodulin-1, ... | | Authors: | Beyett, T.S, Fraley, A.E, Tesmer, J.J.G. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5XNR
 | | Truncated AlyQ with CBM32 and alginate lyase domains | | Descriptor: | ACETATE ION, AlyQ, CALCIUM ION, ... | | Authors: | Teh, A.H, Sim, P.F. | | Deposit date: | 2017-05-24 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Functional and Structural Studies of a Multidomain Alginate Lyase from Persicobacter sp. CCB-QB2.
Sci Rep, 7, 2017
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4XMX
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6EI2
 | | Crystal Structure of HLA-A68 presenting a C-terminally extended peptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | | Authors: | Picaud, S, Guillaume, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gfeller, D, Filippakopoulos, P. | | Deposit date: | 2017-09-16 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal Structure of HLA-A68 presenting a C-terminally extended peptide
To Be Published
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4QU3
 | | GES-2 ertapenem acyl-enzyme complex | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | | Authors: | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | | Deposit date: | 2014-07-10 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
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8EAV
 | | YAR027W and YAR028W in complex with c subunits from yeast VO complex | | Descriptor: | YAR027W or YAR028W, subunit from the c ring of yeast VO complex | | Authors: | Wang, H, Bueler, S.A, Rubinstein, J.L. | | Deposit date: | 2022-08-29 | | Release date: | 2022-11-02 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6I48
 | | Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | | Descriptor: | (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, 1,2-ETHANEDIOL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | | Deposit date: | 2018-11-09 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
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