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6X05
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BU of 6x05 by Molmil
Nup133 (aa55-481) from S. cerevisiae bound by VHH-SAN4
Descriptor: Nucleoporin NUP133, VHH-SAN4
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Yeast Nup84-Nup133 complex structure details flexibility and reveals conservation of the membrane anchoring ALPS motif.
Nat Commun, 11, 2020
7BIH
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BU of 7bih by Molmil
Crystal structure of RecJ-Cdc45 from Methanothermobacter Thermoautotrophicus in the closed state.
Descriptor: Conserved protein, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
Authors:De March, M, Onesti, S.
Deposit date:2021-01-12
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of RecJ-Cdc45 from Methanothermobacter Thermoautotrophicus
To Be Published
2YON
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BU of 2yon by Molmil
Solution NMR structure of the C-terminal extension of two bacterial light, oxygen, voltage (LOV) photoreceptor proteins from Pseudomonas putida
Descriptor: SENSORY BOX PROTEIN
Authors:Rani, R, Hartmann, R, Lecher, J, Krauss, U, Jaeger, K, Willbold, D.
Deposit date:2012-10-25
Release date:2013-07-10
Last modified:2019-10-23
Method:SOLUTION NMR
Cite:Conservation of Dark Recovery Kinetic Parameters and Structural Features in the Pseudomonadaceae "Short" Light, Oxygen, Voltage (Lov) Protein Family: Implications for the Design of Lov-Based Optogenetic Tools.
Biochemistry, 52, 2013
7BMF
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BU of 7bmf by Molmil
Crystal structure of RecJCdc45 from Methanothermobacter thermoautotroficus in complex with dCTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Conserved protein, DI(HYDROXYETHYL)ETHER, ...
Authors:De March, M, Onesti, S.
Deposit date:2021-01-20
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of RecJCdc45 from Methanothermobacter thermoautotroficus
To Be Published
6X07
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BU of 6x07 by Molmil
Nic96 from S. cerevisiae bound by VHH-SAN12
Descriptor: Nucleoporin NIC96, VHH-SAN12
Authors:Andersen, K, Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A nanobody suite for yeast scaffold nucleoporins provides details of the nuclear pore complex structure.
Nat Commun, 11, 2020
2YIJ
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BU of 2yij by Molmil
Crystal Structure of phospholipase A1
Descriptor: PHOSPHOLIPASE A1-IIGAMMA
Authors:Lee, I.
Deposit date:2011-05-13
Release date:2012-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Phospholipase A1
To be Published
6X3R
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BU of 6x3r by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
Descriptor: Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
Authors:Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
Deposit date:2020-05-21
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
2YNB
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BU of 2ynb by Molmil
Crystal structure of the main protease of coronavirus HKU4 in complex with a Michael acceptor SG85
Descriptor: 3C-LIKE PROTEINASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, NICKEL (II) ION
Authors:Ma, Q, Xiao, Y, Hilgenfeld, R.
Deposit date:2012-10-13
Release date:2013-10-23
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Inhibitor for the Main Protease of Coronavirus Hku4
To be Published
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
Descriptor: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
Authors:Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7C34
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BU of 7c34 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Descriptor: BERBERINE, Chitinase
Authors:Chen, L, Chen, J, Yang, Q.
Deposit date:2020-05-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structure-guided design of berberine-based novel chitinase inhibitors.
J Enzyme Inhib Med Chem, 35, 2020
6WFZ
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BU of 6wfz by Molmil
Crystal structure of Fab399 in complex with NPNA3 peptide from circumsporozoite protein
Descriptor: Fab399 heavy chain, Fab399 light chain, NPNA3 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6X4P
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BU of 6x4p by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28)
Descriptor: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
Deposit date:2020-05-22
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
7C65
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BU of 7c65 by Molmil
Crystal structure of thioredoxin m1
Descriptor: SODIUM ION, Thioredoxin M1, chloroplastic
Authors:Kurisu, G, Juniar, L, Tanaka, H.
Deposit date:2020-05-21
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural basis for thioredoxin isoform-based fine-tuning of ferredoxin-thioredoxin reductase activity.
Protein Sci., 29, 2020
7C6F
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BU of 7c6f by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C71
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BU of 7c71 by Molmil
Crystal structure of beta-glycosides-binding protein (E117A) of ABC transporter in an open state
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFITE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
6WIQ
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BU of 6wiq by Molmil
Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2
Descriptor: Non-structural protein 7, Non-structural protein 8
Authors:Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-10
Release date:2020-04-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
7C6Y
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BU of 7c6y by Molmil
Crystal structure of beta-glycosides-binding protein (W41A) of ABC transporter in an open state (Form II)
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
7C7X
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BU of 7c7x by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
Descriptor: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
Authors:Luo, Q, Baihui, W.
Deposit date:2020-05-27
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
2YYV
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BU of 2yyv by Molmil
Crystal structure of uncharacterized conserved protein from Thermotoga maritima
Descriptor: Probable 2-phosphosulfolactate phosphatase
Authors:Nakagawa, N, Nakamura, Y, Bessho, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-02
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of uncharacterized conserved protein from Thermotoga maritima
To be Published
2Z0O
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BU of 2z0o by Molmil
Crystal structure of APPL1-BAR-PH domain
Descriptor: DCC-interacting protein 13-alpha
Authors:Murayama, K, Kato-Murayama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-07
Release date:2008-05-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of APPL1-BAR-PH domain
To be Published
7CC8
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BU of 7cc8 by Molmil
Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - Apo form
Descriptor: SULFATE ION, TRIETHYLENE GLYCOL, Thymidylate Synthase
Authors:Kumar, S, Panchal, N.V, Shaikh, N, Vasudevan, D.
Deposit date:2020-06-16
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements.
Int.J.Biol.Macromol., 167, 2021
6WOX
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BU of 6wox by Molmil
Thermus thermophilus RNA polymerase initially transcribing complex with 2'dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3'), ...
Authors:Shin, Y, Murakami, K.S.
Deposit date:2020-04-26
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:The mechanism of the nucleo-sugar selection by multi-subunit RNA polymerases.
Nat Commun, 12, 2021
7CDH
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BU of 7cdh by Molmil
Crystal structure of Betaaspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum-AW-1
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoaspartyl dipeptidase, ...
Authors:Dhanasingh, I, La, J.W, Lee, D.W, Lee, S.H.
Deposit date:2020-06-19
Release date:2020-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Characterization of Primordial Protein Repair Enzyme M38 Metallo-Peptidase From Fervidobacterium islandicum AW-1.
Front Mol Biosci, 7, 2020
6WPJ
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BU of 6wpj by Molmil
Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and d4T
Descriptor: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA Primer 21-mer, DNA template 27-mer, ...
Authors:Bertoletti, N, Anderson, K.S.
Deposit date:2020-04-27
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance.
Molecules, 25, 2020
7CBT
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BU of 7cbt by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
Authors:Shi, Y, Peng, G.
Deposit date:2020-06-13
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:The preclinical inhibitor GS441524 in combination with GC376 efficaciously inhibited the proliferation of SARS-CoV-2 in the mouse respiratory tract.
Emerg Microbes Infect, 10, 2021

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PDB entries from 2024-08-14

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