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6NV1
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BU of 6nv1 by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, ...
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-02-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
6NEN
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BU of 6nen by Molmil
Catalytic domain of Proteus mirabilis ScsC
Descriptor: Copper resistance protein
Authors:Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
Deposit date:2018-12-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
6NVA
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BU of 6nva by Molmil
Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, SODIUM ION
Authors:Thomas, L.M, Chooback, L.
Deposit date:2019-02-04
Release date:2019-02-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Escherichia coli dihydrodipicolinate synthase and propionate covalently bound to K161.
To Be Published
6NJ1
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BU of 6nj1 by Molmil
Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Michalska, K, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-02
Release date:2019-01-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Crystal structure of class A beta-lactamase from Clostridium kluyveri DSM 555
To Be Published
6NHG
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BU of 6nhg by Molmil
Rhodobacter sphaeroides Mitochondrial respiratory chain complex
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Xia, D, Zhou, F, Esser, L.
Deposit date:2018-12-21
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit.
J.Biol.Chem., 294, 2019
6NIF
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BU of 6nif by Molmil
crystal structure of human REV7-RAN complex
Descriptor: hREV7, GTP-binding nuclear protein Ran, hREV3 fusion
Authors:Wang, X, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
Deposit date:2018-12-27
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
6NKD
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BU of 6nkd by Molmil
Crystal Structure of the Lipase Lip_vut3 from Goat Rumen metagenome.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A.
Deposit date:2019-01-07
Release date:2020-01-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Lipase Lip_vut3 from Goat Rumen metagenome.
To Be Published
6NJC
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BU of 6njc by Molmil
Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
Descriptor: ACETIC ACID, CHLORIDE ION, FORMIC ACID, ...
Authors:Kim, Y, Li, H, Biglow, L, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-01-03
Release date:2019-01-16
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
To Be Published
6NMA
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BU of 6nma by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NPK
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BU of 6npk by Molmil
Structure of the TM domain
Descriptor: Solute carrier family 12 (sodium/potassium/chloride transporter), member 2
Authors:Feng, L, Liao, M.F, Orlando, B, Zhang, J.R.
Deposit date:2019-01-17
Release date:2019-07-31
Last modified:2019-08-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure and mechanism of the cation-chloride cotransporter NKCC1.
Nature, 572, 2019
6NMD
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BU of 6nmd by Molmil
cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NV6
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BU of 6nv6 by Molmil
Crystal structure of the theta class glutathione S-transferase from the citrus canker pathogen Xanthomonas axonopodis pv. citri with glutathione bound
Descriptor: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
Authors:Hilario, E, De Keyser, S, Fan, L.
Deposit date:2019-02-04
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and biochemical characterization of a glutathione transferase from the citrus canker pathogen Xanthomonas.
Acta Crystallogr D Struct Biol, 76, 2020
6NHU
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BU of 6nhu by Molmil
Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ...
Authors:Kim, Y, Welk, L, Endres, M, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-23
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Beta Lactamase Class D YbxI from Agrobacterium fabrum
To Be Published
6NZS
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BU of 6nzs by Molmil
Dextranase AoDex KQ11
Descriptor: Dextranase
Authors:Ren, W, Yan, W, Gu, L, Feng, Y, Dong, D, Wang, S, Wang, C, Lyu, M.
Deposit date:2019-02-14
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
To Be Published
6O0H
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BU of 6o0h by Molmil
Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor NDI-091143
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
Authors:Wei, J, Tong, L.
Deposit date:2019-02-16
Release date:2019-04-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:An allosteric mechanism for potent inhibition of human ATP-citrate lyase.
Nature, 568, 2019
6NPJ
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BU of 6npj by Molmil
Structure of the NKCC1 CTD
Descriptor: Sodium-potassium-chloride cotransporter 1
Authors:Feng, L, Liao, M.F, Orlando, B, Zhang, J.R.
Deposit date:2019-01-17
Release date:2019-07-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure and mechanism of the cation-chloride cotransporter NKCC1.
Nature, 572, 2019
6NTR
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BU of 6ntr by Molmil
Crystal Structure of Beta-barrel-like Protein of Domain of Unknown Function DUF1849 from Brucella abortus
Descriptor: 1,2-ETHANEDIOL, ATP/GTP-binding site-containing protein A, GLYCEROL
Authors:Kim, Y, Bigelow, L, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2019-01-30
Release date:2019-02-13
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:BrucellaPeriplasmic Protein EipB Is a Molecular Determinant of Cell Envelope Integrity and Virulence.
J.Bacteriol., 201, 2019
6O1H
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BU of 6o1h by Molmil
Tryptophan synthase Q114A mutant in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid 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, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2019-02-19
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine (PLS) at the beta-site.
To be Published
6NDI
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BU of 6ndi by Molmil
Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae
Descriptor: Transcriptional regulator
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-13
Release date:2018-12-26
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6NEB
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BU of 6neb by Molmil
MYC Promoter G-Quadruplex with 1:6:1 loop length
Descriptor: DNA (27-MER)
Authors:Dickerhoff, J, Onel, B, Chen, L, Chen, Y, Yang, D.
Deposit date:2018-12-17
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of a MYC Promoter G-Quadruplex with 1:6:1 Loop Length.
Acs Omega, 4, 2019
6NM9
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BU of 6nm9 by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer
Descriptor: AcrVA4, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NQ3
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BU of 6nq3 by Molmil
Crystal Structure of a SUZ12-RBBP4-PHF19-JARID2 Heterotetrameric Complex
Descriptor: Histone-binding protein RBBP4, PHD finger protein 19, Polycomb protein SUZ12, ...
Authors:Chen, S, Jiao, L, Liu, X.
Deposit date:2019-01-19
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:A Dimeric Structural Scaffold for PRC2-PCL Targeting to CpG Island Chromatin.
Mol.Cell, 77, 2020
6NFU
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BU of 6nfu by Molmil
Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter.
Descriptor: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, NONAN-1-OL, POTASSIUM ION, ...
Authors:Tilegenova, C, Cortes, D.M, Jahovic, N, Hardy, E, Parameswaran, H, Guan, L, Cuello, L.G.
Deposit date:2018-12-20
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NFD
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BU of 6nfd by Molmil
beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11
Authors:Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-19
Release date:2018-12-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
6NIH
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BU of 6nih by Molmil
Crystal structure of human TLR1
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, L, Zhang, H.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019

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