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6IW7
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BU of 6iw7 by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
Descriptor: (2S)-2-benzamido-4-methyl-pentanoic acid, 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline, ATP-dependent Clp protease proteolytic subunit 1, ...
Authors:Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
Deposit date:2018-12-04
Release date:2020-01-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.692121 Å)
Cite:structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
To Be Published
7VEB
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BU of 7veb by Molmil
Phycocyanin rod structure of cyanobacterial phycobilisome
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ...
Authors:Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
Deposit date:2021-09-08
Release date:2022-06-15
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Core and rod structures of a thermophilic cyanobacterial light-harvesting phycobilisome.
Nat Commun, 13, 2022
7VRV
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BU of 7vrv by Molmil
VAS5 Spike (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhen, C, Wang, X.
Deposit date:2021-10-25
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:VAS5 Spike(1 RBD up)
To Be Published
7VRW
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BU of 7vrw by Molmil
VAS5 Spike (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhen, C, Wang, X.
Deposit date:2021-10-25
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:VAS5 Spike (3-RBD down)
To Be Published
6ROA
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BU of 6roa by Molmil
Crystal structure of V57G mutant of human cystatin C
Descriptor: Cystatin-C
Authors:Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
Deposit date:2019-05-10
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
7VEA
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BU of 7vea by Molmil
Pentacylindrical allophycocyanin core from Thermosynechococcus vulcanus
Descriptor: Allophycocyanin alpha chain, Allophycocyanin beta chain, PHYCOCYANOBILIN, ...
Authors:Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
Deposit date:2021-09-08
Release date:2022-06-22
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Core and rod structures of a thermophilic cyanobacterial light-harvesting phycobilisome.
Nat Commun, 13, 2022
6OR0
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BU of 6or0 by Molmil
Crystal structure of Insulin from Non-merohedrally twinned crystals
Descriptor: Insulin chain A, Insulin chain B
Authors:Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R.
Deposit date:2019-04-29
Release date:2019-12-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Non-merohedral twinning: from minerals to proteins.
Acta Crystallogr D Struct Biol, 75, 2019
6S37
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BU of 6s37 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor
Authors:Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-24
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6IU6
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BU of 6iu6 by Molmil
Crystal structure of cytoplasmic metal binding domain with nickel ions
Descriptor: NICKEL (II) ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
6RSF
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BU of 6rsf by Molmil
NMR structure of pleurocidin KR in SDS micelles
Descriptor: Pleurocidin
Authors:Manzo, G, Mason, A.J.
Deposit date:2019-05-21
Release date:2020-12-09
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A pleurocidin analogue with greater conformational flexibility, enhanced antimicrobial potency and in vivo therapeutic efficacy.
Commun Biol, 3, 2020
4XIH
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BU of 4xih by Molmil
Crystal structure of the R116A mutant AhpE from Mycobacterium tuberculosis
Descriptor: AhpC/TSA family protein
Authors:Tamu Dufe, V, van Molle, I, Pallo, A, Messens, J.
Deposit date:2015-01-07
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
6S18
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BU of 6s18 by Molmil
Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol
Descriptor: Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL
Authors:Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
Deposit date:2019-06-18
Release date:2020-10-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
6S3Z
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BU of 6s3z by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And hydroquinone
Descriptor: 1,2-ETHANEDIOL, 1,4-benzoquinone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-06-26
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
6O6X
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BU of 6o6x by Molmil
Crystal structure of Csm6 W14A/E337A mutant in complex with cA4 by cocrystallization
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6OVX
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BU of 6ovx by Molmil
Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+, P422 form
Descriptor: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase
Authors:Hou, C, Yu, X, Rohr, J, Tsodikov, O.V.
Deposit date:2019-05-08
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
6S2G
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BU of 6s2g by Molmil
Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And Epigallocatechin Gallate (Egcg)
Descriptor: (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-06-20
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous.
Sci Rep, 9, 2019
6O8N
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BU of 6o8n by Molmil
Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: SULFATE ION, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6S3Q
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BU of 6s3q by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-25
Release date:2020-07-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3)
TO BE PUBLISHED
6S89
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BU of 6s89 by Molmil
Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Authors:Niggenaber, J, Mueller, M.P, Rauh, D.
Deposit date:2019-07-09
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
6O6S
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BU of 6o6s by Molmil
Crystal structure of Apo Csm6
Descriptor: Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6OEW
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BU of 6oew by Molmil
Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylyltransferase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
to be published
6S7T
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BU of 6s7t by Molmil
Cryo-EM structure of human oligosaccharyltransferase complex OST-B
Descriptor: (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
Authors:Ramirez, A.S, Kowal, J, Locher, K.P.
Deposit date:2019-07-05
Release date:2019-12-18
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-electron microscopy structures of human oligosaccharyltransferase complexes OST-A and OST-B.
Science, 366, 2019
4XWO
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BU of 4xwo by Molmil
Structure of Get3 bound to the transmembrane domain of Sec22
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, ...
Authors:Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J.
Deposit date:2015-01-29
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo.
Science, 347, 2015
6OHY
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BU of 6ohy by Molmil
Chimpanzee SIV Env trimeric ectodomain.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pallesen, J, Andrabi, R, de Val, N, Burton, D.R, Ward, A.B.
Deposit date:2019-04-08
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The Chimpanzee SIV Envelope Trimer: Structure and Deployment as an HIV Vaccine Template.
Cell Rep, 27, 2019
6OIP
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BU of 6oip by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34
Descriptor: 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-04-09
Release date:2019-07-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019

224201

数据于2024-08-28公开中

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