6MPM
 
 | | Racemic M2-TM I42A crystallized from racemic detergent | | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | | Authors: | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | Deposit date: | 2018-10-07 | | Release date: | 2019-01-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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3I3M
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7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.119 Å) | | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
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6MPN
 | | Racemic M2-TM I42E crystallized from racemic detergent | | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | | Authors: | Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H. | | Deposit date: | 2018-10-07 | | Release date: | 2019-01-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
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3I5U
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4HAF
 | | Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region | | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | | Deposit date: | 2012-09-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
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4HCB
 | | The metal-free form of crystal structure of E.coli ExoI-ssDNA complex | | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), Exodeoxyribonuclease I, GLYCEROL, ... | | Authors: | Qiu, R, Wei, J, Lou, T, Liu, M, Ji, C, Gong, W. | | Deposit date: | 2012-09-29 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structures of Escherichia coli exonuclease I in complex with the single strand DNA
To be published
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4LBK
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7B52
 | | VAR2CSA full ectodomain | | Descriptor: | Erythrocyte membrane protein 1 | | Authors: | Wang, K.T, Gourdon, P.E, Dagil, R, Salanti, A. | | Deposit date: | 2020-12-03 | | Release date: | 2021-04-21 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
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7KHS
 | | OgOGA IN COMPLEX WITH LIGAND 55 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2020-10-21 | | Release date: | 2020-12-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders.
J.Med.Chem., 63, 2020
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4LG0
 | | Structure of a ternary FOXO1-ETS1 DNA complex | | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ... | | Authors: | Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A. | | Deposit date: | 2013-06-27 | | Release date: | 2014-07-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure of a ternary FOXO1-ETS1 DNA complex
To be Published
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4LCU
 | | Structure of KcsA with E118A mutation | | Descriptor: | DIACYL GLYCEROL, Fab heavy chain, Fab light chain, ... | | Authors: | Nimigean, C.M, Posson, D.J, McCoy, J.M. | | Deposit date: | 2013-06-23 | | Release date: | 2013-10-30 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.752 Å) | | Cite: | Molecular interactions involved in proton-dependent gating in KcsA potassium channels.
J.Gen.Physiol., 142, 2013
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7KNI
 | | Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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4HE8
 | | Crystal structure of the membrane domain of respiratory complex I from Thermus thermophilus | | Descriptor: | NADH-quinone oxidoreductase subunit 10, NADH-quinone oxidoreductase subunit 11, NADH-quinone oxidoreductase subunit 12, ... | | Authors: | Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2012-10-03 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the entire respiratory complex I.
Nature, 494, 2013
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7KTX
 | | Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ... | | Authors: | Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A. | | Deposit date: | 2020-11-24 | | Release date: | 2020-12-02 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
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7ALN
 | | Cryo-EM structure of the divergent actomyosin complex from Plasmodium falciparum Myosin A in the Rigor state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-1, Jasplakinolide, ... | | Authors: | Robert-Paganin, J, Xu, X.-P, Swift, M.F, Auguin, D, Robblee, J.P, Lu, H, Fagnant, P.M, Krementsova, E.B, Trybus, K.M, Houdusse, A, Volkmann, N, Hanein, D. | | Deposit date: | 2020-10-06 | | Release date: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | The actomyosin interface contains an evolutionary conserved core and an ancillary interface involved in specificity.
Nat Commun, 12, 2021
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7B1P
 | | Crystal Structure of Human BACE-1 in Complex with Compound 38a (NB-854) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-25 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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4HHB
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7KNE
 | | Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-11-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
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7APE
 | | Crystal structure of LpqY from Mycobacterium thermoresistible in complex with trehalose | | Descriptor: | Lipoprotein (Sugar-binding) lpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Furze, C.M, Guy, C.M, Angula, J, Cameron, A.D, Fullam, E. | | Deposit date: | 2020-10-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of trehalose recognition by the mycobacterial LpqY-SugABC transporter.
J.Biol.Chem., 296, 2021
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7B1E
 | | BACE1 IN COMPLEX WITH compound 3 (NB-641) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(4~{S})-2-azanyl-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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7B1Q
 | | Crystal Structure of Human BACE-1 in Complex with Compound NB-360 (compound 54) | | Descriptor: | Beta-secretase 1, ~{N}-[3-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide | | Authors: | Rondeau, J.M, Wirth, E. | | Deposit date: | 2020-11-25 | | Release date: | 2021-04-28 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Synthesis of the Potent, Selective, and Efficacious beta-Secretase (BACE1) Inhibitor NB-360.
J.Med.Chem., 64, 2021
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7KRD
 | | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-(3-chloro-5-cyanophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ702) | | Descriptor: | 4-(3-chloro-5-cyanophenoxy)-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ... | | Authors: | Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-11-19 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
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6N00
 | | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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7KVB
 | | Chimeric flavivirus between Binjari virus and Murray Valley encephalitis virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, Matrix protein M | | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | | Deposit date: | 2020-11-27 | | Release date: | 2020-12-23 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A unified route for flavivirus structures uncovers essential pocket factors conserved across pathogenic viruses.
Nat Commun, 12, 2021
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