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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
分子名称: (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, ...
著者Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
登録日2018-12-04
公開日2020-01-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.692121 Å)
主引用文献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
分子名称: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ...
著者Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
登録日2021-09-08
公開日2022-06-15
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献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)
分子名称: 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
著者Zhen, C, Wang, X.
登録日2021-10-25
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献VAS5 Spike(1 RBD up)
To Be Published
7VRW
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BU of 7vrw by Molmil
VAS5 Spike (3 RBD down)
分子名称: 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
著者Zhen, C, Wang, X.
登録日2021-10-25
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献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
分子名称: Cystatin-C
著者Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
登録日2019-05-10
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
分子名称: Allophycocyanin alpha chain, Allophycocyanin beta chain, PHYCOCYANOBILIN, ...
著者Kawakami, K, Hamaguchi, T, Hirose, Y, Kosumi, D, Miyata, M, Kamiya, N, Yonekura, K.
登録日2021-09-08
公開日2022-06-22
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献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
分子名称: Insulin chain A, Insulin chain B
著者Sevvana, M, Ruf, M, Uson, I, Sheldrick, G.M, Herbst-Irmer, R.
登録日2019-04-29
公開日2019-12-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor
著者Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-24
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: NICKEL (II) ION, VIT1, ZINC ION
著者Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
登録日2018-11-27
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: Pleurocidin
著者Manzo, G, Mason, A.J.
登録日2019-05-21
公開日2020-12-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献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
分子名称: AhpC/TSA family protein
著者Tamu Dufe, V, van Molle, I, Pallo, A, Messens, J.
登録日2015-01-07
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
分子名称: Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL
著者Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T.
登録日2019-06-18
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 1,4-benzoquinone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-06-26
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: Csm6, Cyclic RNA cA4
著者Jia, N, Patel, D.J.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
分子名称: GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase
著者Hou, C, Yu, X, Rohr, J, Tsodikov, O.V.
登録日2019-05-08
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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)
分子名称: (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, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-06-20
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献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.
分子名称: SULFATE ION, Transcriptional regulator, ArsR family
著者Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2019-03-11
公開日2020-04-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: (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, ...
著者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)
登録日2019-06-25
公開日2020-07-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献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
分子名称: 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
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2019-07-09
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献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
分子名称: Csm6
著者Jia, N, Patel, D.J.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylyltransferase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-27
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: (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, ...
著者Ramirez, A.S, Kowal, J, Locher, K.P.
登録日2019-07-05
公開日2019-12-18
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, ...
著者Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J.
登録日2015-01-29
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献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.
分子名称: 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, ...
著者Pallesen, J, Andrabi, R, de Val, N, Burton, D.R, Ward, A.B.
登録日2019-04-08
公開日2019-06-05
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献The Chimpanzee SIV Envelope Trimer: Structure and Deployment as an HIV Vaccine Template.
Cell Rep, 27, 2019
6OIP
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Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34
分子名称: 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ...
著者Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
登録日2019-04-09
公開日2019-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019

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