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5VLC
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BU of 5vlc by Molmil
Crystal Structure of Medicago truncatula L-Histidinol Dehydrogenase in Complex with L-Histidinol
Descriptor: Histidinol dehydrogenase, chloroplastic, L-histidinol, ...
Authors:Ruszkowski, M, Dauter, Z.
Deposit date:2017-04-25
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structures of Medicago truncatula L-Histidinol Dehydrogenase Show Rearrangements Required for NAD(+) Binding and the Cofactor Positioned to Accept a Hydride.
Sci Rep, 7, 2017
5I87
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BU of 5i87 by Molmil
Crystal structure of BT-CD domains of human acetyl-CoA carboxylase
Descriptor: BT-CD domains of human acetyl-CoA carboxylase, CADMIUM ION
Authors:Stuttfeld, E, Hunkeler, M, Hagmann, A, Imseng, S, Maier, T.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The dynamic organization of fungal acetyl-CoA carboxylase.
Nat Commun, 7, 2016
5VM9
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BU of 5vm9 by Molmil
Human Argonaute3 bound to guide RNA
Descriptor: Protein argonaute-3, RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*U)-3'), RNA (5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*UP*U)-3')
Authors:Park, M.S, Nakanishi, K.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Human Argonaute3 has slicer activity.
Nucleic Acids Res., 45, 2017
7LNP
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BU of 7lnp by Molmil
Structure of the exo-alpha-L-galactosidase BpGH29 (D264N mutant) from Bacteroides plebeius in complex with paranitrophenyl-alpha-L-galactopyranoside
Descriptor: CALCIUM ION, CHLORIDE ION, Exo-alpha-L-galactosidase, ...
Authors:Boraston, A.B, Robb, C.S.
Deposit date:2021-02-08
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7M6K
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BU of 7m6k by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with VMN
Descriptor: 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium, Isoform B of NAD(+) hydrolase sarm1, SODIUM ION
Authors:Gu, W, Luo, Z, Kobe, B.
Deposit date:2021-03-25
Release date:2022-02-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Neurotoxin-mediated potent activation of the axon degeneration regulator SARM1.
Elife, 10, 2021
5I9K
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BU of 5i9k by Molmil
The structure of microsomal glutathione transferase 1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTATHIONE, Microsomal glutathione S-transferase 1, ...
Authors:Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H.
Deposit date:2016-02-20
Release date:2017-07-12
Last modified:2025-05-07
Method:ELECTRON CRYSTALLOGRAPHY (3.5 Å)
Cite:Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017
7LIH
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BU of 7lih by Molmil
CryoEM structure of Mayaro virus icosahedral subunit
Descriptor: Capsid protein, E1 protein, E2 protein
Authors:Chmielewski, D, Kaelber, J.T, Jin, J, Weaver, S, Auguste, A.J, Chiu, W.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Near-atomic resolution Cryo-EM structure of Mayaro virus identifies key structural determinants of alphavirus particle formation
To Be Published
5IMB
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BU of 5imb by Molmil
Crystal structure of peptidyl-tRNA hydrolase mutant-N14D from Vibrio cholerae
Descriptor: Peptidyl-tRNA hydrolase
Authors:Shahid, S, Kabra, A, Pal, R.K, Arora, A.
Deposit date:2016-03-06
Release date:2017-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
5VMU
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BU of 5vmu by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.346 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
5VMZ
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BU of 5vmz by Molmil
Kaiso (ZBTB33) E535Q mutant zinc finger DNA binding domain in complex with a double CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM)P*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
Deposit date:2017-04-28
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
7LJJ
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BU of 7ljj by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase
Authors:Robb, C.S, Boraston, A.B.
Deposit date:2021-01-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
5IMH
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BU of 5imh by Molmil
D31P mutant of C69-family cysteine dipeptidase from Lactobacillus farciminis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Kono, R, Watanabe, K.
Deposit date:2016-03-06
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.471 Å)
Cite:A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
To Be Published
7LY4
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BU of 7ly4 by Molmil
Cryo-EM structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase, BmdC
Descriptor: BmdB, bacillamide NRPS, BmdC, ...
Authors:Sharon, I, Fortinez, C.M, Schmeing, T.M.
Deposit date:2021-03-05
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
7LIT
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BU of 7lit by Molmil
Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7G
Descriptor: Maritimacin, RIBOFLAVIN
Authors:Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H.
Deposit date:2021-01-27
Release date:2022-02-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
5VE6
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BU of 5ve6 by Molmil
Crystal structure of Sugen kinase 223
Descriptor: Tyrosine-protein kinase SgK223
Authors:Patel, O, Lucet, I, Panjikar, S.
Deposit date:2017-04-03
Release date:2017-10-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Structure of SgK223 pseudokinase reveals novel mechanisms of homotypic and heterotypic association.
Nat Commun, 8, 2017
5I9Z
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BU of 5i9z by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358)
Descriptor: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5VEE
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BU of 5vee by Molmil
PAK4 kinase domain in complex with FRAX486
Descriptor: 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 4
Authors:Zhang, E.Y, Ha, B.H, Boggon, T.J.
Deposit date:2017-04-04
Release date:2017-10-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PAK4 crystal structures suggest unusual kinase conformational movements.
Biochim. Biophys. Acta, 1866, 2018
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
5IA9
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BU of 5ia9 by Molmil
The structure of microsomal glutathione transferase 1 in complex with Meisenheimer complex
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, Microsomal glutathione S-transferase 1, ...
Authors:Kuang, Q, Purhonen, P, Jegerschold, C, Morgenstern, R, Hebert, H.
Deposit date:2016-02-21
Release date:2017-07-12
Last modified:2025-05-07
Method:ELECTRON CRYSTALLOGRAPHY (3.5 Å)
Cite:Dead-end complex, lipid interactions and catalytic mechanism of microsomal glutathione transferase 1, an electron crystallography and mutagenesis investigation.
Sci Rep, 7, 2017
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
Deposit date:2021-02-05
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
5VNA
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BU of 5vna by Molmil
Crystal structure of human YEATS domain
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, SULFATE ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2017-04-29
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:GAS41 Recognizes Diacetylated Histone H3 through a Bivalent Binding Mode.
ACS Chem. Biol., 13, 2018
5IAK
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BU of 5iak by Molmil
Caspase 3 V266S
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5VNG
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BU of 5vng by Molmil
Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal II sorting motif
Descriptor: C-terminal ILE-ILE, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
Authors:Ma, W, Goldberg, J.
Deposit date:2017-04-30
Release date:2017-07-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate.
Elife, 6, 2017
7LY7
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BU of 7ly7 by Molmil
Crystal structure of the elongation module of the bacillamide NRPS, BmdB, in complex with the oxidase BmdC
Descriptor: 5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine, BmdB, Bacillamide NRPS, ...
Authors:Fortinez, C.M, Sharon, I, Schmeing, T.M.
Deposit date:2021-03-05
Release date:2022-02-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
5IO3
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BU of 5io3 by Molmil
Crystal structure of the legionella pneumophila effector protein RavZ - I422
Descriptor: Uncharacterized protein RavZ
Authors:Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K.
Deposit date:2016-03-08
Release date:2016-11-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane
Autophagy, 13, 2017

243531

数据于2025-10-22公开中

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