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4V41
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BU of 4v41 by Molmil
E. COLI (LAC Z) BETA-GALACTOSIDASE (NCS CONSTRAINED MONOMER-MONOCLINIC)
Descriptor: BETA-GALACTOSIDASE, MAGNESIUM ION
Authors:Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W.
Deposit date:2000-06-07
Release date:2014-07-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation.
Protein Sci., 9, 2000
8HLA
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BU of 8hla by Molmil
Heteromeric ring comprised of peroxiredoxin from Thermococcus kodakaraensis (TkPrx) F42C/C46S/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F42C) and TkPrx C46S/F76C/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F76C) (Naph@(MIX|3:3))
Descriptor: 1-naphthalen-2-ylethanone, Peroxiredoxin
Authors:Himiyama, T, Hamaguchi, T, Yonekura, K, Nakamura, T.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Unnaturally Distorted Hexagonal Protein Ring Alternatingly Reorganized from Two Distinct Chemically Modified Proteins.
Bioconjug.Chem., 2023
2RSG
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BU of 2rsg by Molmil
Solution structure of the CERT PH domain
Descriptor: Collagen type IV alpha-3-binding protein
Authors:Sugiki, T, Takeuchi, K, Tokunaga, Y, Kumagai, K, Kawano, M, Nishijima, M, Hanada, K, Takahashi, H, Shimada, I.
Deposit date:2012-02-25
Release date:2012-08-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the Golgi association by the pleckstrin homology domain of the ceramide trafficking protein (CERT)
J.Biol.Chem., 287, 2012
4V8A
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BU of 4v8a by Molmil
The structure of thermorubin in complex with the 70S ribosome from Thermus thermophilus.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Bulkley, D, Johnson, F.A, Steitz, T.A.
Deposit date:2011-12-05
Release date:2014-07-09
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The antibiotic thermorubin inhibits protein synthesis by binding to inter-subunit bridge b2a of the ribosome.
J.Mol.Biol., 416, 2012
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-03-15
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
4V4R
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BU of 4v4r by Molmil
Crystal structure of the whole ribosomal complex.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V.
Deposit date:2005-09-30
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.9 Å)
Cite:Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon.
Cell(Cambridge,Mass.), 123, 2005
2RU8
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BU of 2ru8 by Molmil
DnaT C-terminal domain
Descriptor: Primosomal protein 1
Authors:Abe, Y, Tani, J, Fujiyama, S, Urabe, M, Sato, K, Aramaki, T, Katayama, T, Ueda, T.
Deposit date:2014-01-29
Release date:2014-10-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and mechanism of the primosome protein DnaT-functional structures for homotrimerization, dissociation of ssDNA from the PriB·ssDNA complex, and formation of the DnaT·ssDNA complex.
Febs J., 281, 2014
8H3E
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BU of 8h3e by Molmil
Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin
Authors:Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
Deposit date:2022-10-08
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
8H7H
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BU of 8h7h by Molmil
The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA
Descriptor: 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhu, C.J, Zhang, Z.M.
Deposit date:2022-10-20
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27789712 Å)
Cite:2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases.
J.Am.Chem.Soc., 2023
2RRQ
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BU of 2rrq by Molmil
DNA oligomer containing propylene cross-linked cyclic 2'-deoxyuridylate dimer
Descriptor: DNA (5'-D(*CP*CP*TP*TP*CP*AP*(JDT)P*TP*AP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*GP*TP*AP*AP*TP*GP*AP*AP*GP*G)-3')
Authors:Furuita, K, Murata, S, Jee, J.G, Ichikawa, S, Matsuda, A, Kojima, C.
Deposit date:2011-03-24
Release date:2011-06-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Feature of Bent DNA Recognized by HMGB1
J.Am.Chem.Soc., 133, 2011
5SPU
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BU of 5spu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001364774273 - (S) isomer
Descriptor: (3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V8R
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BU of 4v8r by Molmil
The crystal structures of the eukaryotic chaperonin CCT reveal its functional partitioning
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Kalisman, N, Schroder, G.F, Levitt, M.
Deposit date:2012-03-28
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Crystal Structures of the Eukaryotic Chaperonin Cct Reveal its Functional Partitioning
Structure, 21, 2013
5SPT
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BU of 5spt by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000850008207
Descriptor: 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V8Y
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BU of 4v8y by Molmil
Cryo-EM reconstruction of the 80S-eIF5B-Met-itRNAMet Eukaryotic Translation Initiation Complex
Descriptor: 18S RIBOSOMAL RNA, 25S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN S0-A, ...
Authors:Fernandez, I.S, Bai, X.C, Hussain, T, Kelley, A.C, Lorsch, J.R, Ramakrishnan, V, Scheres, S.H.W.
Deposit date:2013-07-20
Release date:2014-07-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular architecture of a eukaryotic translational initiation complex.
Science, 342, 2013
8HB8
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BU of 8hb8 by Molmil
Crystal structure of NAD-II riboswitch (single strand) with NMN
Descriptor: BARIUM ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, RNA (55-MER)
Authors:Peng, X, Lilley, D.M.J, Huang, L.
Deposit date:2022-10-27
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets.
Nucleic Acids Res., 51, 2023
2RIP
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BU of 2rip by Molmil
Structure of DPPIV in complex with an inhibitor
Descriptor: (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Qiu, X.
Deposit date:2007-10-12
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
8HH0
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BU of 8hh0 by Molmil
Peroxiredoxin from Thermococcus kodakaraensis (TkPrx) F42C/C46S/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F42C)
Descriptor: 1-naphthalen-2-ylethanone, Peroxiredoxin
Authors:Himiyama, T, Hamaguchi, T, Yonekura, K, Nakamura, T.
Deposit date:2022-11-16
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unnaturally Distorted Hexagonal Protein Ring Alternatingly Reorganized from Two Distinct Chemically Modified Proteins.
Bioconjug.Chem., 2023
5SPS
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BU of 5sps by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00012962804 - (S) isomer
Descriptor: (3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V9K
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BU of 4v9k by Molmil
70S ribosome translocation intermediate GDPNP-I containing elongation factor EFG/GDPNP, mRNA, and tRNA bound in the pe*/E state.
Descriptor: 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Zhou, J, Lancaster, L, Donohue, J.P, Noller, H.F.
Deposit date:2013-04-24
Release date:2014-07-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structures of EF-G-ribosome complexes trapped in intermediate states of translocation.
Science, 340, 2013
8GYX
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BU of 8gyx by Molmil
Cryo-EM structure of human CEPT1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Choline/ethanolaminephosphotransferase 1, MAGNESIUM ION
Authors:Qian, H.W, Wang, Z.H.
Deposit date:2022-09-24
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for catalysis of human choline/ethanolamine phosphotransferase 1.
Nat Commun, 14, 2023
4V0V
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BU of 4v0v by Molmil
The crystal structure of mouse PP1G in complex with truncated human PPP1R15B (631-660)
Descriptor: MANGANESE (II) ION, PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 15B, SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-GAMMA CATALYTIC SUBUNIT, ...
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
8C38
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BU of 8c38 by Molmil
Contracted cowpea chlorotic mottle virus
Descriptor: Capsid protein
Authors:Harder, O.F, Barrass, S.V, Drabbels, M, Lorenz, U.J.
Deposit date:2022-12-23
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (1.64 Å)
Cite:Fast viral dynamics revealed by microsecond time-resolved cryo-EM.
Nat Commun, 14, 2023
2RT6
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BU of 2rt6 by Molmil
Backbone 1H, 13C, and 15N Chemical Shift Assignments for PriC N-terminal domain
Descriptor: Primosomal replication protein N''
Authors:Aramaki, T, Abe, Y, Katayama, T, Ueda, T.
Deposit date:2013-04-24
Release date:2013-08-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of a replication restart primosome factor, PriC, in Escherichia coli.
Protein Sci., 22, 2013
4UVC
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BU of 4uvc by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
8HCX
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Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023

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數據於2024-10-16公開中

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