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6CVK
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BU of 6cvk by Molmil
Hepatitis B e-antigen in complex with scFv e13
Descriptor: Capsid protein, Single chain variable fragment (scFv) e13
Authors:Eren, E, Steven, A.C, Wingfield, P.T.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structures of Hepatitis B Virus Core- and e-Antigen Immune Complexes Suggest Multi-point Inhibition.
Structure, 26, 2018
5UWF
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BU of 5uwf by Molmil
Crystal structure of human PDE10A in complex with inhibitor 16d
Descriptor: 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K.
Deposit date:2017-02-21
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.
J. Med. Chem., 60, 2017
6XE3
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BU of 6xe3 by Molmil
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-06-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
9GOK
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BU of 9gok by Molmil
X-ray structure of lysozyme obtained upon reaction with the dioxidovanadium(V) complex with (E)-N'-(1-(2-hydroxy-5-methoxyphenyl)ethylidene)furan-2-carbohydrazide)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Paolillo, M, Ferraro, G, Merlino, A.
Deposit date:2024-09-05
Release date:2024-12-18
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Interaction of V V O 2 -hydrazonates with lysozyme.
J.Inorg.Biochem., 264, 2024
6FXC
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BU of 6fxc by Molmil
The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Kidmose, R, Amunts, A, Yonath, A.
Deposit date:2018-03-08
Release date:2018-03-21
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (6.76 Å)
Cite:The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus.
Nat Commun, 8, 2017
8JJR
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BU of 8jjr by Molmil
Cryo-EM structure of Symbiodinium photosystem I
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Zhao, L.S, Wang, N, Li, K, Zhang, Y.Z, Liu, L.N.
Deposit date:2023-05-31
Release date:2024-05-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Architecture of symbiotic dinoflagellate photosystem I-light-harvesting supercomplex in Symbiodinium.
Nat Commun, 15, 2024
5HR2
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BU of 5hr2 by Molmil
Crystal structure of thioredoxin L94A mutant
Descriptor: COPPER (II) ION, Thioredoxin
Authors:Noguera, M.E, Vazquez, D.S, Howard, E.I, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2016-01-22
Release date:2017-02-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural variability of E. coli thioredoxin captured in the crystal structures of single-point mutants.
Sci Rep, 7, 2017
7QFM
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BU of 7qfm by Molmil
Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2021-12-06
Release date:2022-12-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8HEK
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BU of 8hek by Molmil
Crystal Structure of Anti-CRISPR AcrIE2
Descriptor: AcrIE2
Authors:Koo, J, Ka, D, Bae, E.
Deposit date:2022-11-08
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Biochemical characterization of type I-E anti-CRISPR proteins, AcrIE2 and AcrIE4
Appl.Biol.Chem., 66, 2023
6NPF
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BU of 6npf by Molmil
Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
Descriptor: Enolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D.
Deposit date:2019-01-17
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
5VM8
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BU of 5vm8 by Molmil
Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
Descriptor: Ribosomal RNA small subunit methyltransferase E, S-ADENOSYLMETHIONINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-26
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
To Be Published
9K8M
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BU of 9k8m by Molmil
Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine phosphoribosyltransferase
Authors:Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S.
Deposit date:2024-10-24
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Hypoxanthine-guanine phosphoribosyltransferase from E. coli with HEPES
To Be Published
6OH7
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BU of 6oh7 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in complex with Mg
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase, ...
Authors:Centeno-Leija, S, Serrano-Posada, H.
Deposit date:2019-04-04
Release date:2019-04-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
8UC8
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BU of 8uc8 by Molmil
HCN1 nanodisc
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2023-09-25
Release date:2024-07-31
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
8UC7
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BU of 8uc7 by Molmil
HCN1 complex with propofol
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
Authors:Kim, E.D, Nimigean, C.M.
Deposit date:2023-09-25
Release date:2024-07-31
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
2KU0
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BU of 2ku0 by Molmil
Inhibitor Induced Structural Change in the HCV IRES Domain IIa RNA
Descriptor: (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine, HCV IRES Domain IIa RNA
Authors:Paulsen, R.B, Seth, P.P, Swayze, E.E, Griffey, R.H, Skalicky, J.J, Cheatham III, T.E, Davis, D.R.
Deposit date:2010-02-10
Release date:2010-04-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Inhibitor-induced structural change in the HCV IRES domain IIa RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WGQ
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BU of 2wgq by Molmil
Zinc substituted E Coli Copper Amine Oxidase, a model for the precursor for 2,4,5-trihydroxyphenylalaninequinone formation
Descriptor: AMINE OXIDASE, CALCIUM ION, ZINC ION
Authors:Moody, P.C.E, Cooper, R.A.
Deposit date:2009-04-23
Release date:2009-06-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure of E Coli Amine Oxidase with the Cataltyic Copper Subsituted for Zinc - a Model Precursor.
To be Published
2L61
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BU of 2l61 by Molmil
Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle.
Descriptor: CADMIUM ION, EC protein I/II
Authors:Loebus, J, Peroza, E.A, Bluethgen, N, Fox, T, Meyer-Klaucke, W, Zerbe, O, Freisinger, E.
Deposit date:2010-11-12
Release date:2011-05-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Protein and metal cluster structure of the wheat metallothionein domain gamma-E(c)-1: the second part of the puzzle.
J.Biol.Inorg.Chem., 16, 2011
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
Descriptor: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
Authors:Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
Deposit date:2015-02-02
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-27
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
8GU6
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BU of 8gu6 by Molmil
Structure of the SbCas7-11-crRNA-NTR-Csx29 complex
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-09-10
Release date:2023-01-18
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
8GNA
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BU of 8gna by Molmil
Structure of the SbCas7-11-crRNA-NTR complex
Descriptor: RAMP superfamily protein, RNA (32-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*GP*U)-3'), ...
Authors:Yu, G, Wang, X, Deng, Z, Zhang, H.
Deposit date:2022-08-23
Release date:2023-01-18
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Target RNA-guided protease activity in type III-E CRISPR-Cas system.
Nucleic Acids Res., 50, 2022
2VUB
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BU of 2vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-21
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
4Y4N
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BU of 4y4n by Molmil
Thiazole synthase Thi4 from Methanococcus igneus
Descriptor: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase
Authors:Zhang, X, Ealick, S.E.
Deposit date:2015-02-10
Release date:2016-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
6OXI
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BU of 6oxi by Molmil
Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (UAA)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.495 Å)
Cite:Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019

238582

數據於2025-07-09公開中

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