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6ZOF
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BU of 6zof by Molmil
Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer
Descriptor: DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZUF
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BU of 6zuf by Molmil
Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone
Descriptor: C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ...
Authors:Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F.
Deposit date:2020-07-22
Release date:2021-06-09
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity.
Sci Adv, 7, 2021
1JAW
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BU of 1jaw by Molmil
AMINOPEPTIDASE P FROM E. COLI LOW PH FORM
Descriptor: ACETATE ION, AMINOPEPTIDASE P, MANGANESE (II) ION
Authors:Wilce, M.C.J, Bond, C.S, Lilley, P.E, Dixon, N.E, Freeman, H.C, Guss, J.M.
Deposit date:1997-12-22
Release date:1999-04-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and mechanism of a proline-specific aminopeptidase from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 95, 1998
4V6U
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BU of 4v6u by Molmil
Promiscuous behavior of proteins in archaeal ribosomes revealed by cryo-EM: implications for evolution of eukaryotic ribosomes
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10P, ...
Authors:Armache, J.-P, Anger, A.M, Marquez, V, Frankenberg, S, Froehlich, T, Villa, E, Berninghausen, O, Thomm, M, Arnold, G.J, Beckmann, R, Wilson, D.N.
Deposit date:2012-08-09
Release date:2014-07-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Promiscuous behaviour of archaeal ribosomal proteins: Implications for eukaryotic ribosome evolution.
Nucleic Acids Res., 41, 2013
1JPR
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BU of 1jpr by Molmil
Mn substituted Ribonucleotide reductase R2 from E. coli oxidized by nitric oxide
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, Protein R2 of Ribonucleotide reductase
Authors:Hogbom, M, Andersson, M.E, Nordlund, P.
Deposit date:2001-08-03
Release date:2001-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of oxidized dinuclear manganese centres in Mn-substituted class I ribonucleotide reductase from Escherichia coli: carboxylate shifts with implications for O2 activation and radical generation.
J.Biol.Inorg.Chem., 6, 2001
4LEI
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BU of 4lei by Molmil
Spinosyn Forosaminyltransferase SpnP
Descriptor: NDP-forosamyltransferase, THYMIDINE-5'-DIPHOSPHATE
Authors:Isiorho, E.A, Liu, H.-W, Keatinge-Clay, A.K.
Deposit date:2013-06-25
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural studies of the spinosyn forosaminyltransferase, SpnP.
Biochemistry, 53, 2014
1JQC
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BU of 1jqc by Molmil
Mn substituted Ribonucleotide reductase R2 from E. Coli oxidized by hydrogen peroxide and hydroxylamine
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, Protein R2 of ribonucleotide reductase
Authors:Hogbom, M, Andersson, M.E, Nordlund, P.
Deposit date:2001-08-06
Release date:2001-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structures of oxidized dinuclear manganese centres in Mn-substituted class I ribonucleotide reductase from Escherichia coli: carboxylate shifts with implications for O2 activation and radical generation.
J.Biol.Inorg.Chem., 6, 2001
1W6F
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BU of 1w6f by Molmil
Arylamine N-acetyltransferase from Mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site.
Descriptor: 4-(DIAZENYLCARBONYL)PYRIDINE, ARYLAMINE N-ACETYLTRANSFERASE
Authors:Sandy, J, Holton, S, Fullham, E, Sim, E, Noble, M.E.M.
Deposit date:2004-08-17
Release date:2005-02-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of the Anti-Tubercular Drug Isoniazid to the Arylamine N-Acetyltransferase Protein from Mycobacterium Smegmatis
Protein Sci., 14, 2005
1VYZ
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BU of 1vyz by Molmil
Structure of CDK2 complexed with PNU-181227
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
1VYW
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BU of 1vyw by Molmil
Structure of CDK2/Cyclin A with PNU-292137
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ...
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
3K8A
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BU of 3k8a by Molmil
Neisseria gonorrhoeae PriB
Descriptor: Putative primosomal replication protein
Authors:Lopper, M.E, Dong, J, George, N.P, Duckett, K.L, DeBeer, M.A.
Deposit date:2009-10-14
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of Neisseria gonorrhoeae PriB reveals mechanistic differences among bacterial DNA replication restart pathways
Nucleic Acids Res., 38, 2010
7NTK
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BU of 7ntk by Molmil
PALS1 PDZ1 domain with SARS-CoV-2_E PBM complex
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Envelope small membrane protein, ...
Authors:Javorsky, A, Kvansakul, M.
Deposit date:2021-03-10
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of coronavirus E protein interactions with human PALS1 PDZ domain.
Commun Biol, 4, 2021
4UXV
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BU of 4uxv by Molmil
Cytoplasmic domain of bacterial cell division protein EzrA
Descriptor: SEPTATION RING FORMATION REGULATOR EZRA
Authors:Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J.
Deposit date:2014-08-27
Release date:2014-10-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.961 Å)
Cite:Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
1JQL
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BU of 1jql by Molmil
Mechanism of Processivity Clamp Opening by the Delta Subunit Wrench of the Clamp Loader Complex of E. coli DNA Polymerase III: Structure of beta-delta (1-140)
Descriptor: DNA Polymerase III, BETA CHAIN, DELTA SUBUNIT
Authors:Jeruzalmi, D, Yurieva, O, Zhao, Y, Young, M, Stewart, J, Hingorani, M, O'Donnell, M, Kuriyan, J.
Deposit date:2001-08-07
Release date:2001-09-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of processivity clamp opening by the delta subunit wrench of the clamp loader complex of E. coli DNA polymerase III.
Cell(Cambridge,Mass.), 106, 2001
8UF6
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BU of 8uf6 by Molmil
Structure of Trek-1(K2P2.1) with ML336
Descriptor: CADMIUM ION, DECANE, DODECANE, ...
Authors:Lolicato, M, Mondal, A, Minor, D.L.
Deposit date:2023-10-03
Release date:2024-06-26
Last modified:2025-01-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
8UE9
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BU of 8ue9 by Molmil
Structure of TREK-1CG*:CAT335
Descriptor: CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
Authors:Mondal, A, Lee, H, Minor, D.L.
Deposit date:2023-09-29
Release date:2024-06-26
Last modified:2025-01-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Development of covalent chemogenetic K 2P channel activators.
Cell Chem Biol, 31, 2024
8TZQ
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BU of 8tzq by Molmil
CryoEM structure of D2 dopamine receptor in complex with GoA KE Mutant, scFv16, and dopamine
Descriptor: D(2) dopamine receptor, 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, ...
Authors:Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L.
Deposit date:2023-08-27
Release date:2024-08-21
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
8U02
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BU of 8u02 by Molmil
CryoEM structure of D2 dopamine receptor in complex with GoA KE mutant and dopamine
Descriptor: D(2) dopamine receptor, 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, ...
Authors:Krumm, B.E, Kapolka, N.J, Fay, J.F, Roth, B.L.
Deposit date:2023-08-28
Release date:2024-08-21
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:A neurodevelopmental disorder mutation locks G proteins in the transitory pre-activated state.
Nat Commun, 15, 2024
8UF4
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BU of 8uf4 by Molmil
Crystal structure of wildtype dystroglycan proteolytic domain (juxtamembrane domain)
Descriptor: Beta-dystroglycan, CALCIUM ION, CHLORIDE ION, ...
Authors:Anderson, M.J.M, Shi, K, Hayward, A.N, Uhlens, C, Evans III, R.L, Grant, E, Greenberg, L, Aihara, H, Gordon, W.R.
Deposit date:2023-10-03
Release date:2024-09-11
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Molecular basis of proteolytic cleavage regulation by the extracellular matrix receptor dystroglycan.
Structure, 32, 2024
8PNT
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BU of 8pnt by Molmil
Structure of the human nuclear cap-binding complex bound to PHAX and m7G-capped RNA
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Nuclear cap-binding protein subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Dubiez, E, Pellegrini, E, Foucher, A.E, Cusack, S, Kadlec, J.
Deposit date:2023-07-01
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis for competitive binding of productive and degradative co-transcriptional effectors to the nuclear cap-binding complex.
Cell Rep, 43, 2024
8UGM
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BU of 8ugm by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound Z27 bound
Descriptor: 1-benzothiophen-3-ylboronic acid, CALCIUM ION, Fluorophosphonate-binding serine hydrolase E
Authors:Fellner, M.
Deposit date:2023-10-05
Release date:2024-10-16
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Nat Commun, 16, 2025
8UIX
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BU of 8uix by Molmil
FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, boronic acid-based compound Y43 bound
Descriptor: (3,5-dimethoxyphenyl)boronic acid, Fluorophosphonate-binding serine hydrolase E
Authors:Fellner, M.
Deposit date:2023-10-10
Release date:2024-10-23
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Identification of covalent inhibitors of Staphylococcus aureus serine hydrolases important for virulence and biofilm formation.
Nat Commun, 16, 2025
4CHS
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BU of 4chs by Molmil
Crystal structure of a tau class glutathione transferase 10 from Glycine max
Descriptor: ACETONE, GLUTATHIONE S-TRANSFERASE, S-Hydroxy-Glutathione
Authors:Skopelitou, K, Muleta, A.W, Papageorgiou, A.C, Pavli, O, Flemetakis, E, Chronopoulou, E, Skaracis, G.N, Labrou, N.E.
Deposit date:2013-12-04
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Catalytic features and crystal structure of a tau class glutathione transferase from Glycine max specifically upregulated in response to soybean mosaic virus infections.
Biochim. Biophys. Acta, 1854, 2015
4D2Q
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BU of 4d2q by Molmil
Negative-stain electron microscopy of E. coli ClpB mutant E432A (BAP form bound to ClpP)
Descriptor: CLPB
Authors:Carroni, M, Kummer, E, Oguchi, Y, Clare, D.K, Wendler, P, Sinning, I, Kopp, J, Mogk, A, Bukau, B, Saibil, H.R.
Deposit date:2014-05-12
Release date:2014-06-04
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Head-to-Tail Interactions of the Coiled-Coil Domains Regulate Clpb Activity and Cooperation with Hsp70 in Protein Disaggregation.
Elife, 3, 2014
2QN6
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BU of 2qn6 by Molmil
Structure of an archaeal heterotrimeric initiation factor 2 reveals a nucleotide state between the GTP and the GDP states
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 alpha subunit, ...
Authors:Mechulam, Y, Yatime, L, Blanquet, S, Schmitt, E.
Deposit date:2007-07-18
Release date:2007-11-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of an archaeal heterotrimeric initiation factor 2 reveals a nucleotide state between the GTP and the GDP states.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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