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5DH8
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BU of 5dh8 by Molmil
Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction- G12A mutant in Zn2+
Descriptor: 5'-R(*GP*GP*GP*CP*GP*U)-D(P*C)-R(P*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', RNA (48-MER), ZINC ION
Authors:Mir, A, Chen, J, Neau, D, Golden, B.L.
Deposit date:2015-08-29
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.297 Å)
Cite:Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction.
Biochemistry, 54, 2015
8I3V
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BU of 8i3v by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom.
Descriptor: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2023-01-18
Release date:2024-07-03
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
4WE3
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BU of 4we3 by Molmil
STRUCTURE OF THE BINARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP MONOCLINIC CRYSTAL FORM
Descriptor: Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R.
Deposit date:2014-09-09
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE
to be published
3SJ9
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BU of 3sj9 by Molmil
crystal structure of the C147A mutant 3C of CVA16 in complex with FAGLRQAVTQ peptide
Descriptor: 3C protease, FAGLRQAVTQ peptide
Authors:Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJK
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BU of 3sjk by Molmil
Crystal structure of the C147A mutant 3C from enterovirus 71
Descriptor: 3C protease, KPVLRTATVQGPSLDF peptide
Authors:Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
4WB5
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BU of 4wb5 by Molmil
Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ...
Authors:Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
Deposit date:2014-09-02
Release date:2015-01-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
6Z00
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BU of 6z00 by Molmil
Arabidopsis thaliana Naa50 in complex with bisubstrate analogue CoA-Ac-MVNAL
Descriptor: Acyl-CoA N-acyltransferases (NAT) superfamily protein, CARBOXYMETHYL COENZYME *A, MET-VAL-ASN-ALA-LEU
Authors:Weidenhausen, J, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2020-05-07
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and functional characterization of the N-terminal acetyltransferase Naa50.
Structure, 29, 2021
5JV1
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BU of 5jv1 by Molmil
Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-066
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid
Authors:Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M.
Deposit date:2016-05-10
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase.
J. Med. Chem., 60, 2017
3SFP
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BU of 3sfp by Molmil
Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella pneumoniae
Descriptor: Beta-lactamase NDM-1, CHLORIDE ION, CITRIC ACID, ...
Authors:Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, J, Binkowski, T.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2011-06-13
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
5D7X
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BU of 5d7x by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with XZ08
Descriptor: 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-08-14
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J.Med.Chem., 59, 2016
3SJG
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BU of 3sjg by Molmil
Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid
Descriptor: (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-21
Release date:2011-10-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
3SHW
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BU of 3shw by Molmil
Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide
Descriptor: Gap junction gamma-1 protein, Tight junction protein ZO-1
Authors:Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M.
Deposit date:2011-06-17
Release date:2011-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core
To be Published
4V4B
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BU of 4v4b by Molmil
Structure of the ribosomal 80S-eEF2-sordarin complex from yeast obtained by docking atomic models for RNA and protein components into a 11.7 A cryo-EM map.
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11, ...
Authors:Spahn, C.M, Gomez-Lorenzo, M.G, Grassucci, R.A, Jorgensen, R, Andersen, G.R, Beckmann, R, Penczek, P.A, Ballesta, J.P.G, Frank, J.
Deposit date:2004-01-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.7 Å)
Cite:Domain movements of elongation factor eEF2 and the eukaryotic 80S ribosome facilitate tRNA translocation.
Embo J., 23, 2004
4V48
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BU of 4v48 by Molmil
Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the initiation-like state of E. coli 70S ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J.
Deposit date:2003-05-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
6YZZ
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BU of 6yzz by Molmil
Arabidopsis thaliana Naa50 in complex with AcCoA
Descriptor: ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Weidenhausen, J, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2020-05-07
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional characterization of the N-terminal acetyltransferase Naa50.
Structure, 29, 2021
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
8RBS
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BU of 8rbs by Molmil
Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map.
Descriptor: Major capsid protein, Penton protein
Authors:Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P.
Deposit date:2023-12-04
Release date:2023-12-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
8RBT
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BU of 8rbt by Molmil
Emiliania huxleyi virus 201 (EhV-201) capsid proteins predicted by AlphaFold2 fitted into a cryo-EM density map of the EhV-201 virion capsid.
Descriptor: Major capsid protein, Penton protein
Authors:Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P.
Deposit date:2023-12-04
Release date:2023-12-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi.
Sci Adv, 10, 2024
8RB4
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BU of 8rb4 by Molmil
Structure of the five-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-02
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
3J2H
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BU of 3j2h by Molmil
Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM
Descriptor: 16S rRNA
Authors:Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (18.799999 Å)
Cite:Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process.
Nucleic Acids Res., 41, 2013
3J3W
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BU of 3j3w by Molmil
Atomic model of the immature 50S subunit from Bacillus subtilis (state II-a)
Descriptor: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Li, N, Guo, Q, Zhang, Y, Yuan, Y, Ma, C, Lei, J, Gao, N.
Deposit date:2013-04-28
Release date:2013-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Cryo-EM structures of the late-stage assembly intermediates of the bacterial 50S ribosomal subunit
Nucleic Acids Res., 41, 2013
3J7X
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BU of 3j7x by Molmil
Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions
Descriptor: Major capsid protein 10A
Authors:Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W.
Deposit date:2014-08-12
Release date:2014-10-15
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.
Proc.Natl.Acad.Sci.USA, 111, 2014
8RB5
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BU of 8rb5 by Molmil
Structure of the three-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-03
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
8RB3
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BU of 8rb3 by Molmil
Structure of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-02
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024
8RB7
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BU of 8rb7 by Molmil
Structure of the two-fold capsomer of the PNMA2 capsid
Descriptor: Paraneoplastic antigen Ma2 homolog
Authors:Erlendsson, S, Xu, J, Shepherd, J.D, Briggs, J.A.G.
Deposit date:2023-12-03
Release date:2024-02-14
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:PNMA2 forms immunogenic non-enveloped virus-like capsids associated with paraneoplastic neurological syndrome.
Cell, 187, 2024

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