4UBM
 
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 11.11 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4UC3
 | | Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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4UCM
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4U2W
 | | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin | | Descriptor: | 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ... | | Authors: | Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
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6PW0
 | | Cytochrome C oxidase delta 6 mutant | | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | | Authors: | Liu, J, Ferguson-Miller, S. | | Deposit date: | 2019-07-21 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
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4U37
 | | Native 7mer-RNA duplex | | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | | Authors: | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | | Deposit date: | 2014-07-18 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs.
J.Am.Chem.Soc., 136, 2014
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4U39
 | | Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis | | Descriptor: | Cell division factor, Cell division protein FtsZ, PHOSPHATE ION | | Authors: | Bisson-Filho, A.W, Discola, K.F, Castellen, P, Blasios, V, Martins, A, Sforca, M.L, Garcia, W, Zeri, A.C, Erickson, H.P, Dessen, A, Gueiros-Filho, F.J. | | Deposit date: | 2014-07-19 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Crystal Structure of FtsZ:MciZ Complex from Bacillus subtilis
To be Published
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4U3L
 | | octameric RNA duplex co-crystallized in calcium(II)chloride | | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3') | | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | | Deposit date: | 2014-07-22 | | Release date: | 2015-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.482 Å) | | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
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6PWU
 | | Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pan, J, Chen, B, Harrison, S.C. | | Deposit date: | 2019-07-23 | | Release date: | 2020-02-26 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16.
J.Mol.Biol., 432, 2020
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7RU3
 | | CC6.33 IgG in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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4U97
 | | Crystal Structure of Asymmetric IRAK4 Dimer | | Descriptor: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | | Authors: | Ferrao, R, Wu, H. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly.
Mol.Cell, 55, 2014
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4U9K
 | | Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II)NO ligation state, Q154A/Q155A/K156A mutant | | Descriptor: | MANGANESE PROTOPORPHYRIN IX, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ... | | Authors: | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | | Deposit date: | 2014-08-06 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4U5M
 | | Structure of a left-handed DNA G-quadruplex | | Descriptor: | DNA (28-MER), MAGNESIUM ION, POTASSIUM ION | | Authors: | Schmitt, E, Mechulam, Y, Phan, A.T, Brahim, H, Chung, W.J, Lim, K.W. | | Deposit date: | 2014-07-25 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of a left-handed DNA G-quadruplex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6PZZ
 | | CryoEM derived model of NA-80 Fab in complex with N9 Shanghai2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-80 fragment antibody heavy chain, ... | | Authors: | Ward, A.B, Turner, H.L, Zhu, X. | | Deposit date: | 2019-08-01 | | Release date: | 2019-12-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
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4U5W
 | | Crystal Structure of HIV-1 Nef-SF2 Core Domain in Complex with the Src Family Kinase Hck SH3-SH2 Tandem Regulatory Domains | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Protein Nef, ... | | Authors: | Alvarado, J.J, Yeh, J.I, Smithgall, T.E. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Interaction with the Src Homology (SH3-SH2) Region of the Src-family Kinase Hck Structures the HIV-1 Nef Dimer for Kinase Activation and Effector Recruitment.
J.Biol.Chem., 289, 2014
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4UAL
 | | MRCK beta in complex with BDP00005290 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2014-08-10 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
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4U63
 | | Crystal structure of a bacterial class III photolyase from Agrobacterium tumefaciens at 1.67A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID, DNA photolyase, ... | | Authors: | Scheerer, P, Zhang, F, Kalms, J, von Stetten, D, Krauss, N, Oberpichler, I, Lamparter, T. | | Deposit date: | 2014-07-26 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways.
J.Biol.Chem., 290, 2015
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6Q6L
 | | Crystal structure of recombinant human beta-glucocerebrosidase in complex with adamantyl-cyclophellitol inhibitor (ME656) | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2018-12-11 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
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4U64
 | | Structure of the periplasmic output domain of the Legionella pneumophila LapD ortholog CdgS9 in the apo state | | Descriptor: | Two component histidine kinase, GGDEF domain protein/EAL domain protein | | Authors: | Chatterjee, D, Cooley, R.B, Boyd, C.D, Mehl, R.A, O'Toole, G.A, Sondermann, H.S. | | Deposit date: | 2014-07-27 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | Mechanistic insight into the conserved allosteric regulation of periplasmic proteolysis by the signaling molecule cyclic-di-GMP.
Elife, 3, 2014
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4UBJ
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.55 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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7RU5
 | | CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (non-uniform refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab heavy chain Fv, ... | | Authors: | Ozorowski, G, Turner, H.L, Ward, A.B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
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4UC1
 | | High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ... | | Authors: | Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
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4U69
 | | HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid | | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ... | | Authors: | Arya, T, Addlagatta, A. | | Deposit date: | 2014-07-28 | | Release date: | 2015-03-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
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7SCO
 | | Structure of H1 influenza hemagglutinin bound to Fab 310-39G10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ... | | Authors: | Torrents de la Pena, A, Ward, A.B. | | Deposit date: | 2021-09-28 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus.
Immunity, 55, 2022
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4U6D
 | | Zg3615, a family 117 glycoside hydrolase in complex with beta-3,6-anhydro-L-galactose | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-beta-L-galactopyranose, CALCIUM ION, ... | | Authors: | Ficko-Blean, E. | | Deposit date: | 2014-07-28 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family.
Acta Crystallogr.,Sect.D, 71, 2015
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