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6RPQ
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BU of 6rpq by Molmil
Crystal structure of PhoCDC21-1 intein
Descriptor: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
Authors:Beyer, H.M, Mikula, K.M, Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
7BOS
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BU of 7bos by Molmil
Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13
Descriptor: Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ...
Authors:Kudo, N, Olsen, C.A, Minoru, Y.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
8PK0
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BU of 8pk0 by Molmil
human mitoribosomal large subunit assembly intermediate 1 with GTPBP10-GTPBP7
Descriptor: 16S rRNA + pre-H68-71 segment, 39S ribosomal protein L10, mitochondrial, ...
Authors:Kummer, E, Nguyen, T.G, Ritter, C.
Deposit date:2023-06-23
Release date:2023-12-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights into the role of GTPBP10 in the RNA maturation of the mitoribosome.
Nat Commun, 14, 2023
8CLR
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BU of 8clr by Molmil
Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop
Descriptor: RNA hairpin with CUUG tetraloop
Authors:Oxenfarth, A, Kuemmerer, F, Bottaro, S, Schnieders, R, Pinter, G, Jonker, H.R.A, Fuertig, B, Richter, C, Blackledge, M, Lindorff-Larsen, K, Schwalbe, H.
Deposit date:2023-02-17
Release date:2023-07-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop.
J.Am.Chem.Soc., 145, 2023
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
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
8R8R
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BU of 8r8r by Molmil
Cryo-EM structure of the human mPSF with PAPOA C-terminus peptide (PAPOAc)
Descriptor: Cleavage and polyadenylation specificity factor subunit 1, Cleavage and polyadenylation specificity factor subunit 4, RNA (5'-R(P*AP*AP*UP*AP*AP*A)-3'), ...
Authors:Todesca, S, Sandmeir, F, Keidel, A, Conti, E.
Deposit date:2023-11-29
Release date:2024-04-10
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Molecular basis of human poly(A) polymerase recruitment by mPSF.
Rna, 30, 2024
7NZC
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BU of 7nzc by Molmil
First SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.111 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NYL
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BU of 7nyl by Molmil
Mutant H493A of SH3 domain of JNK-interacting Protein 1 (JIP1)
Descriptor: SH3 domain of JNK-interacting Protein 1 (JIP1), TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Perez, L.M, Ielasi, F.S, Palencia, A, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZD
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BU of 7nzd by Molmil
Fourth SH3 domain of POSH (Plenty of SH3 Domains protein)
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase SH3RF1
Authors:Palencia, A, Bessa, L.M, Jensen, M.R.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
7NZB
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BU of 7nzb by Molmil
Mutant V517L of the SH3 domain of JNK-interacting protein 1 (JIP1)
Descriptor: PHOSPHATE ION, SH3 domain of JNK-interacting protein 1 (JIP1), TETRAETHYLENE GLYCOL
Authors:Perez, L.M, Ielasi, F.S, Jensen, M.R, Palencia, A.
Deposit date:2021-03-23
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Visualizing protein breathing motions associated with aromatic ring flipping.
Nature, 602, 2022
1W8B
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BU of 1w8b by Molmil
Factor7 - 413 complex
Descriptor: (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-ACETYLAMINO]-PHENYL-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION
Authors:Ackermann, J, Alig, L, Banner, D.W, Boehm, H.-J, Groebke-Zbinden, K, Hilpert, K, Lave, T, Kuehne, H, Obst-Sander, U, Riederer, M.A, Stahl, M, Tschopp, T.B, Weber, L, Wessel, H.P.
Deposit date:2004-09-17
Release date:2005-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Selective and Orally Bioavailable Phenylglycine Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
7PQK
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BU of 7pqk by Molmil
Co-Crystal Structure of M. tuberculosis LeuRS in Complex with the Adduct Formed by Prodrug Cmpd1 with Adenosine-monophosphate
Descriptor: (S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol, 1,2-ETHANEDIOL, Leucine--tRNA ligase
Authors:Palencia, A, Cusack, S.
Deposit date:2021-09-17
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Adenosine-Dependent Activation Mechanism of Prodrugs Targeting an Aminoacyl-tRNA Synthetase.
J.Am.Chem.Soc., 145, 2023
8POS
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BU of 8pos by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain bound to cmpd9-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate
Authors:Palencia, A, Hoffmann, G.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
8POQ
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BU of 8poq by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
8POT
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BU of 8pot by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ...
Authors:Palencia, A, Hoffmann, G.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
8POR
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BU of 8por by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain bound to cmpd6-AMP adduct
Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Leucine--tRNA ligase, ...
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
2BZ6
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BU of 2bz6 by Molmil
Orally available Factor7a inhibitor
Descriptor: (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID, BLOOD COAGULATION FACTOR VIIA, CALCIUM ION, ...
Authors:Groebke-Zbinden, K, Obst-Sander, U, Hilpert, K, Kuehne, H, Banner, D.W, Boehm, H.J, Stahl, M, Ackermann, J, Alig, L, Weber, L, Wessel, H.P, Riederer, M.A, Tschopp, T.B, Lave, T.
Deposit date:2005-08-11
Release date:2006-02-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dose-Dependant Antithrombotic Activity of an Orally Active Tissue Factor/Factor Viia Inhibitor without Concomitant Enhancement of Bleeding Propensity.
Bioorg.Med.Chem., 14, 2006
1W2K
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BU of 1w2k by Molmil
tf7a_4380 complex
Descriptor: (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-07-06
Release date:2005-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1W0Y
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BU of 1w0y by Molmil
tf7a_3771 complex
Descriptor: 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ...
Authors:Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L.
Deposit date:2004-05-27
Release date:2005-01-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005

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