8K8U
 
 | | F8-A22-E4 complex of MPXV in complex with DNA and dCTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Shen, Y.P, Li, Y.N, Yan, R.H. | | Deposit date: | 2023-07-31 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural basis for the inhibition mechanism of the DNA polymerase holoenzyme from mpox virus.
Structure, 32, 2024
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5Y6Z
 | | Crystal structure of the coxsackievirus A16 polymerase elongation complex | | Descriptor: | GLYCEROL, Genome polyprotein, MAGNESIUM ION, ... | | Authors: | Bi, P, Shu, B, Gong, P. | | Deposit date: | 2017-08-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the coxsackievirus A16 RNA-dependent RNA polymerase elongation complex reveals novel features in motif A dynamics
Virol Sin, 32, 2017
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5LV4
 | | Crystal structure of mouse PRMT6 in complex with inhibitor LH1236 | | Descriptor: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, Protein arginine N-methyltransferase 6 | | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-09-12 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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6REY
 | | Human 20S-PA200 Proteasome Complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ... | | Authors: | Toste Rego, A, da Fonseca, P.C.A. | | Deposit date: | 2019-04-12 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes.
Mol.Cell, 76, 2019
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4Q9K
 | | P-glycoprotein cocrystallised with QZ-Leu | | Descriptor: | (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A | | Authors: | McGrath, A.P, Szewczyk, P, Chang, G. | | Deposit date: | 2014-05-01 | | Release date: | 2015-03-04 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
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6A1Q
 | | Crystal structures of disordered Z-type helices | | Descriptor: | DNA (5'-D(P*CP*AP*CP*A)-3'), DNA (5'-D(P*TP*GP*TP*G)-3') | | Authors: | Karthik, S, Mandal, P.K, Thirugnanasambandam, A, Gautham, N. | | Deposit date: | 2018-06-07 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Crystal structures of disordered Z-type helices.
Nucleosides Nucleotides Nucleic Acids, 38, 2019
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5EZR
 | | Crystal Structure of PVX_084705 bound to compound | | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-26 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of PVX_084705 bound to compound
To Be Published
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5LMJ
 | | Llama nanobody PorM_19 | | Descriptor: | PHOSPHATE ION, nanobody | | Authors: | Leone, P, Cambillau, C, Roussel, A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6LSE
 | | Crystal structure of the enterovirus 71 polymerase elongation complex (C3S6A/C3S6B form) | | Descriptor: | Genome polyprotein, PYROPHOSPHATE 2-, RNA (35-MER), ... | | Authors: | Wang, M, Shu, B, Jing, X, Gong, P. | | Deposit date: | 2020-01-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Stringent control of the RNA-dependent RNA polymerase translocation revealed by multiple intermediate structures.
Nat Commun, 11, 2020
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6ITO
 | | Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate | | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-11-24 | | Release date: | 2019-08-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis.
J.Mol.Biol., 431, 2019
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6EJ2
 | | BACE1 compound 28 | | Descriptor: | Beta-secretase 1, compound 28 | | Authors: | Johansson, P. | | Deposit date: | 2017-09-20 | | Release date: | 2018-04-18 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Toward beta-Secretase-1 Inhibitors with Improved Isoform Selectivity.
J. Med. Chem., 61, 2018
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7OWB
 | | Chimeric carminomycin-4-O-methyltransferase (DnrK) with a region from 10-hydroxylase CalMB | | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Authors: | Dinis, P, MetsaKetela, M. | | Deposit date: | 2021-06-17 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
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5I8E
 | | Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab | | Descriptor: | VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION | | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.655 Å) | | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
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1B53
 | | NMR STRUCTURE OF HUMAN MIP-1A D26A, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | MIP-1A | | Authors: | Waltho, J.P, Higgins, L.D, Craven, C.J, Tan, P, Dudgeon, T. | | Deposit date: | 1999-01-11 | | Release date: | 1999-07-22 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1alpha, MIP-1beta, and RANTES. Characterization of active disaggregated chemokine variants.
J.Biol.Chem., 274, 1999
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5I9D
 | | Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2 | | Descriptor: | RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2 | | Authors: | Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-02-20 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
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6RGQ
 | | Human 20S Proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Toste Rego, A, da Fonseca, P.C.A. | | Deposit date: | 2019-04-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Characterization of Fully Recombinant Human 20S and 20S-PA200 Proteasome Complexes.
Mol.Cell, 76, 2019
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3IHJ
 | | Human alanine aminotransferase 2 in complex with PLP | | Descriptor: | Alanine aminotransferase 2, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Wisniewska, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-30 | | Release date: | 2009-08-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human glutamate pyruvate transaminase 2
To be Published
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5LJ1
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Chung, C, Bamborough, P, Demont, E. | | Deposit date: | 2016-07-17 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Chemical Probe for the ATAD2 Bromodomain.
Angew.Chem.Int.Ed.Engl., 55, 2016
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1B50
 | | NMR STRUCTURE OF HUMAN MIP-1A D26A, 10 STRUCTURES | | Descriptor: | MIP-1A | | Authors: | Waltho, J.P, Higgins, L.D, Craven, C.J, Tan, P, Dudgeon, T. | | Deposit date: | 1999-01-11 | | Release date: | 1999-07-22 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Identification of amino acid residues critical for aggregation of human CC chemokines macrophage inflammatory protein (MIP)-1alpha, MIP-1beta, and RANTES. Characterization of active disaggregated chemokine variants.
J.Biol.Chem., 274, 1999
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6RN8
 | | RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate | | Descriptor: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | | Authors: | Convery, M.A, Haile, P.A. | | Deposit date: | 2019-05-08 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
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2TRA
 | | RESTRAINED REFINEMENT OF TWO CRYSTALLINE FORMS OF YEAST ASPARTIC ACID AND PHENYLALANINE TRANSFER RNA CRYSTALS | | Descriptor: | MAGNESIUM ION, SPERMINE, TRNAASP | | Authors: | Westhof, E, Dumas, P, Moras, D. | | Deposit date: | 1987-11-06 | | Release date: | 1987-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Restrained refinement of two crystalline forms of yeast aspartic acid and phenylalanine transfer RNA crystals.
Acta Crystallogr.,Sect.A, 44, 1988
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3INQ
 | | Crystal structure of BCL-XL in complex with W1191542 | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide, Bcl-2-like protein 1, ... | | Authors: | Fairlie, W.D, Smith, B.J, Colman, P.M, Czabotar, P.E, Lee, E.F. | | Deposit date: | 2009-08-12 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands
J. Biol. Chem., 284, 2009
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7NFY
 | | P1a-state of wild type human mitochondrial LONP1 protease with bound substrate protein and ATPgS | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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7OY1
 | | DnrK mutant RTCR | | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | | Authors: | Dinis, P, MetsaKetela, M. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
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7NG5
 | | P1c-state of wild type human mitochondrial LONP1 protease with bound substrate protein in presence of ATP/ADP mix | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ... | | Authors: | Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T, Abrahams, J.P. | | Deposit date: | 2021-02-08 | | Release date: | 2021-02-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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