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4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5ZSG
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BU of 5zsg by Molmil
Crystal structure of monkey TLR7 in complex with gardiquimod
Descriptor: 1-{4-amino-2-[(ethylamino)methyl]-1H-imidazo[4,5-c]quinolin-1-yl}-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5ZSJ
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BU of 5zsj by Molmil
Crystal structure of monkey TLR7 in complex with GS9620
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
5XED
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BU of 5xed by Molmil
Heterodimer constructed from M61A PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins
Descriptor: Cytochrome c-551,Cytochrome c-552, Cytochrome c-552,Cytochrome c-551, HEME C
Authors:Zhang, M, Nakanishi, T, Yamanaka, M, Nagao, S, Yanagisawa, S, Shomura, Y, Shibata, N, Ogura, T, Higuchi, Y, Hirota, S.
Deposit date:2017-04-04
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rational Design of Domain-Swapping-Based c-Type Cytochrome Heterodimers by Using Chimeric Proteins.
Chembiochem, 18, 2017
5XG5
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BU of 5xg5 by Molmil
Crystal structure of Mitsuba-1 with bound NAcGal
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1
Authors:Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2017-04-12
Release date:2017-07-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity.
Sci Rep, 7, 2017
5XKY
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BU of 5xky by Molmil
Crystal structure of DddY Se derivative
Descriptor: Uncharacterized protein, ZINC ION
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2017-05-10
Release date:2017-11-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Mechanistic Insights into Dimethylsulfoniopropionate Lyase DddY, a New Member of the Cupin Superfamily.
J. Mol. Biol., 429, 2017
5XM8
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BU of 5xm8 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme and Pb.
Descriptor: DNA (23-mer), DNA (36-MER), LEAD (II) ION, ...
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5XE2
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BU of 5xe2 by Molmil
Endoribonuclease from Mycobacterial species
Descriptor: Endoribonuclease MazF4
Authors:Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J.
Deposit date:2017-03-31
Release date:2017-10-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor.
J. Biol. Chem., 292, 2017
5ZSI
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BU of 5zsi by Molmil
Crystal structure of monkey TLR7 in complex with CL097
Descriptor: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
7Z0P
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BU of 7z0p by Molmil
SARS-COV2 Main Protease in complex with inhibitor MG-131
Descriptor: (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2022-02-23
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
5ZSN
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BU of 5zsn by Molmil
Crystal structure of monkey TLR7 in complex with AAUUAA
Descriptor: 2',3'- cyclic AMP, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
4N4L
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BU of 4n4l by Molmil
Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydrazine
Descriptor: 1,2-ETHANEDIOL, 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, ...
Authors:Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
7ZAI
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BU of 7zai by Molmil
Cryo-EM structure of a Pyrococcus abyssi 30S bound to Met-initiator tRNA, mRNA and aIF1A.
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R.
Deposit date:2022-03-22
Release date:2022-07-13
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Role of aIF5B in archaeal translation initiation.
Nucleic Acids Res., 50, 2022
6A1C
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BU of 6a1c by Molmil
Crystal structure of the CK2a1-go289 complex
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol, Casein kinase II subunit alpha, ...
Authors:Kinoshita, T, Tsuyuguchi, M.
Deposit date:2018-06-07
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Cell-based screen identifies a new potent and highly selective CK2 inhibitor for modulation of circadian rhythms and cancer cell growth.
Sci Adv, 5, 2019
6ADQ
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BU of 6adq by Molmil
Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
Authors:Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
Deposit date:2018-08-27
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
5ZSC
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BU of 5zsc by Molmil
Crystal structure of monkey TLR7 in complex with IMDQ and CCUUCC
Descriptor: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Z, Ohto, U, Shimizu, T.
Deposit date:2018-04-28
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
7KA4
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BU of 7ka4 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x4)
Descriptor: Fructose-bisphosphate aldolase A
Authors:Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
7K0T
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BU of 7k0t by Molmil
Cryo-EM structure of rabbit RyR1 in the presence of AMP-PCP in nanodisc
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RyR1, ZINC ION
Authors:Nayak, A.R, Samso, M.
Deposit date:2020-09-05
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM.
Elife, 11, 2022
7K0S
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BU of 7k0s by Molmil
Cryo-EM structure of rabbit RyR1 in the presence of Mg2+ and AMP-PCP in nanodisc
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RyR1, ...
Authors:Nayak, A.R, Samso, M.
Deposit date:2020-09-05
Release date:2021-09-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Interplay between Mg2+ and Ca2+ at multiple sites of the ryanodine receptor
Nat Commun, 15, 2024
7JPN
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BU of 7jpn by Molmil
Cryo-EM structure of Arpin-bound Arp2/3 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ...
Authors:van Eeuwen, T, Fregoso, F.E, Dominguez, R, Zimmet, A, Boczkowska, M, Rebowski, G.
Deposit date:2020-08-09
Release date:2022-02-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Molecular mechanism of Arp2/3 complex inhibition by Arpin.
Nat Commun, 13, 2022
7L0X
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BU of 7l0x by Molmil
Human Bocavirus 2 (pH 2.6)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7L0Y
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BU of 7l0y by Molmil
Human Bocavirus 1 (pH 2.6)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7L0U
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BU of 7l0u by Molmil
Human Bocavirus 2 (pH 5.5)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7KSL
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BU of 7ksl by Molmil
Substrate-free human mitochondrial LONP1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
Deposit date:2020-11-23
Release date:2020-12-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021

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