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5OHS
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A GH31 family sulfoquinovosidase mutant D455N in complex with pNPSQ
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-nitrophenyl alpha-D-6-sulfoquinovoside, ...
著者Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J.
登録日2017-07-18
公開日2018-08-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases.
ACS Cent Sci, 4, 2018
6P1A
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Transcription antitermination factor Q21 in complex with Q21-binding-element DNA
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*TP*TP*GP*CP*TP*CP*AP*TP*TP*TP*GP*CP*TP*CP*AP*AP*TP*GP*AP*G)-3'), ...
著者Yin, Z, Ebright, R.H.
登録日2019-05-19
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.837 Å)
主引用文献Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
7WGS
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BU of 7wgs by Molmil
Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit
著者Yang, C.-G, Gan, J.H.
登録日2021-12-28
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
5O6Q
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High pressure flash cooled hen egg white lysozyme
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Thielmann, Y, Quirnheim Pais, D.
登録日2017-06-07
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A standardized technique for high-pressure cooling of protein crystals.
Acta Crystallogr D Struct Biol, 73, 2017
5NXT
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Wobble base paired RNA double helix
分子名称: RNA (5'-R(*UP*GP*UP*UP*CP*UP*CP*UP*AP*CP*GP*AP*AP*GP*AP*AP*CP*A)-3')
著者Garg, A, Heinemann, U.
登録日2017-05-10
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献A novel form of RNA double helix based on G·U and C·A+ wobble base pairing.
RNA, 24, 2018
7VZ6
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BU of 7vz6 by Molmil
The crystal structure of Non-hydrolyzing UDPGlcNAc 2-epimerase in complex with UDP-glucose
分子名称: Putative UDP-N-acetylglucosamine 2-epimerase, SODIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Li, T.L, Rattinam, R.
登録日2021-11-15
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献KasQ an Epimerase Primes the Biosynthesis of Aminoglycoside Antibiotic Kasugamycin and KasF/H Acetyltransferases Inactivate Its Activity.
Biomedicines, 10, 2022
6P24
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Escherichia coli tRNA synthetase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-05-20
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6PMI
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Sigm28-transcription initiation complex with specific promoter at the state 1
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Liu, B, Shi, W.
登録日2019-07-02
公開日2020-05-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis of bacterial sigma28-mediated transcription reveals roles of the RNA polymerase zinc-binding domain.
Embo J., 39, 2020
7WG3
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Structural basis of interleukin-17B receptor in complex with a neutralizing antibody D9 for guiding humanization and affinity maturation for cancer therapy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D9 Fab, IL17RB protein, ...
著者Lee, W.H, Chen, X.R, Liu, I.J, Lee, J.H, Hu, C.M, Wu, H.C, Wang, S.K, Lee, W.H, Ma, C.
登録日2021-12-28
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis of interleukin-17B receptor in complex with a neutralizing antibody for guiding humanization and affinity maturation.
Cell Rep, 41, 2022
5O7V
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Crystal structure of the 5F-tryptophan RSL lectin in complex with Lewis x tetrasaccharide
分子名称: CHLORIDE ION, ETHANOL, Fucose-binding lectin protein, ...
著者Varrot, A.
登録日2017-06-09
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs.
ACS Chem. Biol., 13, 2018
6PKH
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Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
分子名称: N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gorelik, A, Illes, K, Nagar, B.
登録日2019-06-29
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
6PKQ
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MicroED structure of proteinase K from a platinum-coated, polished, single lamella at 1.85A resolution (#11)
分子名称: Proteinase K
著者Martynowycz, M.W, Zhao, W, Hattne, J, Jensen, G.J, Gonen, T.
登録日2019-06-29
公開日2019-09-04
最終更新日2019-12-18
実験手法ELECTRON CRYSTALLOGRAPHY (1.85 Å)
主引用文献Qualitative Analyses of Polishing and Precoating FIB Milled Crystals for MicroED.
Structure, 27, 2019
6P47
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Cryo-EM structure of TMEM16F in digitonin without calcium
分子名称: Anoctamin-6
著者Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y.
登録日2019-05-26
公開日2019-07-24
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
5O0E
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BU of 5o0e by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, RKp120, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2017-05-16
公開日2018-05-30
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OA8
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BU of 5oa8 by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d)
分子名称: 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A, Kaila, V.R.I.
登録日2017-06-21
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.
Nat Commun, 9, 2018
5OAL
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BU of 5oal by Molmil
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E)
分子名称: ARGININE, STRYCHNINE, Soluble acetylcholine receptor
著者Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
登録日2017-06-22
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
6P5H
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BU of 6p5h by Molmil
Structure of MavC middle insertion domain
分子名称: MavC
著者Negron Teron, K.I, Puvar, K, Iyer, S, Das, C.
登録日2019-05-30
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6PML
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Crystal Structure of EcDsbA in complex benzyl ether 23
分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA, ...
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
5O13
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Crystal structure of PIM1 kinase in complex with small-molecule inhibitor
分子名称: (3~{E})-5-chloranyl-3-[[5-[3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]furan-2-yl]methylidene]-1~{H}-indol-2-one, CHLORIDE ION, IMIDAZOLE, ...
著者Dubin, G, Bogusz, J.
登録日2017-05-17
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors.
Sci Rep, 7, 2017
6PO1
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ClpX-ClpP complex bound to substrate and ATP-gamma-S, class 4
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ...
著者Fei, X, Jenni, S, Harrison, S.C, Sauer, R.T.
登録日2019-07-03
公開日2020-03-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structures of the ATP-fueled ClpXP proteolytic machine bound to protein substrate.
Elife, 9, 2020
6PNC
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Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6PNP
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Crystal structure of the splice insert-free neurexin-1 LNS2 domain in complex with neurexophilin-1
分子名称: Neurexin-1, Neurexophilin-1
著者Wilson, S.C, White, K.I, Zhou, Q, Brunger, A.T.
登録日2019-07-02
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of neurexophilin-neurexin complexes reveal a regulatory mechanism of alternative splicing.
Embo J., 38, 2019
6PO2
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In situ structure of BTV RNA-dependent RNA polymerase in BTV core
分子名称: Inner core structural protein VP3, RNA-directed RNA polymerase
著者He, Y, Shivakoti, S, Ding, K, Cui, Y, Roy, P, Zhou, Z.H.
登録日2019-07-03
公開日2019-08-07
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献In situ structures of RNA-dependent RNA polymerase inside bluetongue virus before and after uncoating.
Proc.Natl.Acad.Sci.USA, 116, 2019
5ODC
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Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus at 2.3 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, ...
著者Wagner, T, Koch, J, Ermler, U, Shima, S.
登録日2017-07-05
公開日2017-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
6P7C
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D104A/S128A S. typhimurium siroheme synthase
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, Siroheme synthase
著者Pennington, J.M, Stroupe, M.E.
登録日2019-06-05
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020

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