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7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CGY
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BU of 7cgy by Molmil
Human DMC1 Q244M mutant of the post-synaptic complexes
Descriptor: CALCIUM ION, Meiotic recombination protein DMC1/LIM15 homolog, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chi, H.Y, Ho, M.C, Tsai, M.D, Luo, S.C, Yeh, H.Y.
Deposit date:2020-07-03
Release date:2020-11-18
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Identification of fidelity-governing factors in human recombinases DMC1 and RAD51 from cryo-EM structures.
Nat Commun, 12, 2021
7C7N
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BU of 7c7n by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
Descriptor: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
Authors:Mima, M, Ushiyama, F.
Deposit date:2020-05-26
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
7CID
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BU of 7cid by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CM8
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BU of 7cm8 by Molmil
High resolution crystal structure of M92A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
Descriptor: Cysteine synthase, GLYCEROL, SODIUM ION
Authors:Kaushik, A, Rahisuddin, R, Saini, N, Kumaran, S.
Deposit date:2020-07-25
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase.
J.Biol.Chem., 296, 2020
7C9X
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BU of 7c9x by Molmil
Echovirus 3 F-particle
Descriptor: MYRISTIC ACID, SPHINGOSINE, VP1, ...
Authors:Wang, K, Rao, Z, Wang, X.
Deposit date:2020-06-08
Release date:2020-08-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
7CPK
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BU of 7cpk by Molmil
Xylanase R from Bacillus sp. TAR-1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Endo-1,4-beta-xylanase A, ...
Authors:Kuwata, K, Suzuki, M, Takita, T, Nakatani, K, Li, T, Katano, Y, Kojima, K, Mizutani, K, Mikami, B, Yatsunami, R, Nakamura, S, Yasukawa, K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insight into the mechanism of thermostabilization of GH10 xylanase from Bacillus sp. strain TAR-1 by the mutation of S92 to E.
Biosci.Biotechnol.Biochem., 85, 2021
7CRJ
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BU of 7crj by Molmil
Dark State Structure of Chloride ion pumping rhodopsin (ClR) with NTQ motif
Descriptor: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
Authors:Yun, J.H, Liu, H, Lee, W.T, Schmidt, M.
Deposit date:2020-08-13
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CJ3
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BU of 7cj3 by Molmil
Crystal structure of the transmembrane domain of Salpingoeca rosetta rhodopsin phosphodiesterase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphodiesterase, RETINAL
Authors:Ikuta, T, Shihoya, W, Yamashita, K, Nureki, O.
Deposit date:2020-07-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the mechanism of rhodopsin phosphodiesterase.
Nat Commun, 11, 2020
7CN7
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BU of 7cn7 by Molmil
T4 phage spackle protein gp61.3 complex with lysozyme domain of gp5 tail lysozyme
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Baseplate central spike complex protein gp5, ...
Authors:Kanamaru, S, Leiman, P.G.
Deposit date:2020-07-30
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Function of the T4 Spackle Protein Gp61.3.
Viruses, 12, 2020
7COF
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BU of 7cof by Molmil
Cholesterol esterase from Burkholderia stabilis (orthorhombic crystal form)
Descriptor: Alpha/beta hydrolase, CALCIUM ION, GLYCEROL, ...
Authors:Yasutake, Y, Tamura, T.
Deposit date:2020-08-04
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.084 Å)
Cite:Bacterial triacylglycerol lipase is a potential cholesterol esterase: Identification of a key determinant for sterol-binding specificity.
Int.J.Biol.Macromol., 167, 2021
7C2Q
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BU of 7c2q by Molmil
The crystal structure of COVID-19 main protease in the apo state
Descriptor: 3C-like proteinase
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J.
Deposit date:2020-05-08
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
7C33
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BU of 7c33 by Molmil
Macro domain of SARS-CoV-2 in complex with ADP-ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
Authors:Lin, M.H, Hsu, C.H.
Deposit date:2020-05-11
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.83 Å)
Cite:Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain.
Acs Infect Dis., 6, 2020
7C3L
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BU of 7c3l by Molmil
Structure of L-lysine oxidase D212A/D315A in complex with L-tyrosine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, L-lysine oxidase, ...
Authors:Kitagawa, M, Matsumoto, Y, Inagaki, K, Imada, K.
Deposit date:2020-05-12
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of strict substrate recognition of l-lysine alpha-oxidase from Trichoderma viride.
Protein Sci., 29, 2020
7CRC
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BU of 7crc by Molmil
Cryo-EM structure of plant NLR RPP1 tetramer in complex with ATR1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Avirulence protein ATR1, ...
Authors:Ma, S.C, Lapin, D, Liu, L, Sun, Y, Song, W, Zhang, X.X, Logemann, E, Yu, D.L, Wang, J, Jirschitzka, J, Han, Z.F, SchulzeLefert, P, Parker, J.E, Chai, J.J.
Deposit date:2020-08-13
Release date:2020-12-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme.
Science, 370, 2020
7C7F
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BU of 7c7f by Molmil
Crystal structures of AKR1C3 binary complex with NADP+
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
7C84
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BU of 7c84 by Molmil
Esterase AlinE4 mutant, D162A
Descriptor: ACETATE ION, CADMIUM ION, GLYCEROL, ...
Authors:Li, Z, Li, J.
Deposit date:2020-05-28
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases.
Biotechnol Biofuels, 13, 2020
7C7Z
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BU of 7c7z by Molmil
Crystal structure of the flagellar junction protein FlgL from Legionella pneumophila
Descriptor: Flagellar hook-associated protein 3
Authors:Song, W.S, Hong, H.J, Yoon, S.I.
Deposit date:2020-05-27
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural study of the flagellar junction protein FlgL from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 529, 2020
7CBI
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BU of 7cbi by Molmil
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate, GLYCEROL, ...
Authors:Guo, J, Chen, B, Zhou, H.
Deposit date:2020-06-12
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-guided optimization and mechanistic study of a class of quinazolinone-threonine hybrids as antibacterial ThrRS inhibitors.
Eur.J.Med.Chem., 207, 2020
7CQY
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BU of 7cqy by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans mutant - D325N
Descriptor: SULFATE ION, Tetrathionate hydrolase
Authors:Tamada, T, Hirano, Y.
Deposit date:2020-08-12
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.80035782 Å)
Cite:Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
7CCV
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BU of 7ccv by Molmil
Crystal structure of death-associated protein kinase 1 in complex with piceatannol
Descriptor: Death-associated protein kinase 1, PICEATANNOL, SULFATE ION
Authors:Yokoyama, T, Suzuki, R, Mizuguchi, M.
Deposit date:2020-06-18
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Crystal structure of death-associated protein kinase 1 in complex with the dietary compound resveratrol.
Iucrj, 8, 2020
7CSV
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BU of 7csv by Molmil
Pseudomonas aeruginosa antitoxin HigA
Descriptor: HTH cro/C1-type domain-containing protein
Authors:Song, Y.J, Luo, G.H, Bao, R.
Deposit date:2020-08-17
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
7CFL
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BU of 7cfl by Molmil
X-ray structure of autolysin Acd24020 catalytic domain from Clostridium difficile
Descriptor: CITRATE ANION, Putative cell wall hydrolase phosphatase-associated protein
Authors:Kamitori, S, Tamai, E.
Deposit date:2020-06-26
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and biochemical characterizations of the novel autolysin Acd24020 from Clostridioides difficile and its full-function catalytic domain as a lytic enzyme.
Mol.Microbiol., 115, 2021
7CTP
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BU of 7ctp by Molmil
Crystal Structure of Human FAM129B/MINERVA/NIBAN2
Descriptor: GLYCEROL, Protein Niban 2
Authors:Hahn, H, Kim, H.S, Han, B.W.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insight on Functional Regulation of Human MINERVA Protein.
Int J Mol Sci, 21, 2020
7CI4
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BU of 7ci4 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020

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