6AK1
 
 | | Crystal structure of DmoA from Hyphomicrobium sulfonivorans | | Descriptor: | Dimethyl-sulfide monooxygenase | | Authors: | Cao, H.Y, Wang, P, Peng, M, Li, C.Y. | | Deposit date: | 2018-08-28 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | Crystal structure of the dimethylsulfide monooxygenase DmoA from Hyphomicrobium sulfonivorans.
Acta Crystallogr.,Sect.F, 74, 2018
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2N7B
 | | Solution structure of the human Siglec-8 lectin domain in complex with 6'sulfo sialyl Lewisx | | Descriptor: | 3-aminopropan-1-ol, N-acetyl-alpha-neuraminic acid-(2-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid-binding Ig-like lectin 8 | | Authors: | Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M. | | Deposit date: | 2015-09-07 | | Release date: | 2016-07-06 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2N87
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2MZP
 | | Structure and dynamics of the acidosis-resistant a162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C | | Descriptor: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ... | | Authors: | Pineda Sanabria, S.E, Robertson, I.M, Sykes, B.D. | | Deposit date: | 2015-02-20 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Dynamics of the Acidosis-Resistant A162H Mutant of the Switch Region of Troponin I Bound to the Regulatory Domain of Troponin C.
Biochemistry, 54, 2015
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6AK3
 | | Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Prostaglandin E2 receptor EP3 subtype,Soluble cytochrome b562 | | Authors: | Morimoto, K, Suno, R, Iwata, S, Kobayashi, T. | | Deposit date: | 2018-08-29 | | Release date: | 2018-12-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the endogenous agonist-bound prostanoid receptor EP3.
Nat. Chem. Biol., 15, 2019
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5TIG
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4XTS
 | | Salmonella typhimurium AhpC T43A mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-24 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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4XJK
 | | Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ... | | Authors: | Drennan, C.L, Bowman, S.E.J. | | Deposit date: | 2015-01-08 | | Release date: | 2015-04-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis.
J.Am.Chem.Soc., 137, 2015
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2N9P
 | | Solution structure of RNF126 N-terminal zinc finger domain in complex with BAG6 Ubiquitin-like domain | | Descriptor: | E3 ubiquitin-protein ligase RNF126, Large proline-rich protein BAG6, ZINC ION | | Authors: | Martinez-Lumbreras, S, Krysztofinska, E.M, Thapaliya, A, Isaacson, R.L. | | Deposit date: | 2015-12-01 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and functional insights into the E3 ligase, RNF126.
Sci Rep, 6, 2016
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5TJ5
 | | Atomic model for the membrane-embedded motor of a eukaryotic V-ATPase | | Descriptor: | V-type proton ATPase subunit a, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ... | | Authors: | Mazhab-Jafari, M.T, Rohou, A, Schmidt, C, Bueler, S.A, Benlekbir, S, Robinson, C.V, Rubinstein, J.L. | | Deposit date: | 2016-10-03 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase.
Nature, 539, 2016
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5ZRV
 | | Structure of human mitochondrial trifunctional protein, octamer | | Descriptor: | Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta | | Authors: | Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J. | | Deposit date: | 2018-04-25 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5TMN
 | | Slow-and fast-binding inhibitors of thermolysin display different modes of binding. crystallographic analysis of extended phosphonamidate transition-state analogues | | Descriptor: | CALCIUM ION, N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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4XLF
 | | Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | | Deposit date: | 2015-01-13 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
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2N3U
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4XLZ
 | | N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K. | | Deposit date: | 2015-01-14 | | Release date: | 2015-06-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
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2N0A
 | | Atomic-resolution structure of alpha-synuclein fibrils | | Descriptor: | Alpha-synuclein | | Authors: | Tuttle, M.D, Comellas, G, Nieuwkoop, A.J, Covell, D.J, Berthold, D.A, Kloepper, K.D, Courtney, J.M, Kim, J.K, Schwieters, C.D, Lee, V.M, George, J.M, Rienstra, C.M. | | Deposit date: | 2015-03-04 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Solid-state NMR structure of a pathogenic fibril of full-length human alpha-synuclein.
Nat.Struct.Mol.Biol., 23, 2016
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4XYC
 | | NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
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2N2F
 | | Solution NMR structure of Dynorphin 1-13 bound to Kappa Opioid Receptor | | Descriptor: | Dynorphin A(1-13) | | Authors: | O'Connor, C, White, K, Doncescu, N, Didenko, T, Roth, B.L, Czaplicki, G, Stevens, R.C, Wuthrich, K, Milon, A. | | Deposit date: | 2015-05-06 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR structure and dynamics of the agonist dynorphin peptide bound to the human kappa opioid receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4Y2X
 | | Structure of soluble epoxide hydrolase in complex with 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol | | Descriptor: | 2-[({2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethyl}amino)methyl]phenol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Amano, Y, Yamaguchi, T. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
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2MXY
 | | Solution structure of hnRNP C RRM in complex with 5'-AUUUUUC-3' RNA | | Descriptor: | 5'-R(*AP*UP*UP*UP*UP*UP*C)-3', Heterogeneous nuclear ribonucleoproteins C1/C2 | | Authors: | Cienikova, Z, Damberger, F.F, Hall, J, Allain, F.H.-T, Maris, C. | | Deposit date: | 2015-01-19 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural and mechanistic insights into poly(uridine) tract recognition by the hnRNP C RNA recognition motif.
J.Am.Chem.Soc., 136, 2014
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4Y3A
 | | Endothiapepsin in complex with fragment 181 | | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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5U4W
 | | Cryo-EM Structure of Immature Zika Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein, ... | | Authors: | Mangala Prasad, V, Miller, A.S, Klose, T, Sirohi, D, Buda, G, Jiang, W, Kuhn, R.J, Rossmann, M.G. | | Deposit date: | 2016-12-06 | | Release date: | 2017-01-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Structure of the immature Zika virus at 9 angstrom resolution.
Nat. Struct. Mol. Biol., 24, 2017
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4XB0
 | | Structure of the Plk2 polo-box domain | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Serine/threonine-protein kinase PLK2 | | Authors: | Kim, J.H, Ku, B, Kim, S.J. | | Deposit date: | 2014-12-16 | | Release date: | 2015-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structural analysis of the polo-box domain of human Polo-like kinase 2
Proteins, 83, 2015
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5TVS
 | | JMJD2A in complex with Ni(II) | | Descriptor: | Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION | | Authors: | Cascella, B, Lee, S.G, Jez, J.M. | | Deposit date: | 2016-11-09 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.745 Å) | | Cite: | The small molecule JIB-04 disrupts O2 binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
Chem. Commun. (Camb.), 53, 2017
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2MQQ
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