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5LRA
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Plastidial phosphorylase PhoI from barley in complex with maltotetraose
分子名称: Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M.
登録日2016-08-18
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
5LP4
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Penicillin-Binding Protein (PBP2) from Helicobacter pylori
分子名称: Penicillin-binding protein 2 (Pbp2), SULFATE ION
著者Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Boneca, I.G, Dessen, A.
登録日2016-08-11
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
2JSQ
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BU of 2jsq by Molmil
Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 15BrG, NMR, 10 Structures
分子名称: HUMAN TELOMERE DNA
著者Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J.
登録日2007-07-11
公開日2008-07-15
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution.
Nucleic Acids Res., 35, 2007
6DRI
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BU of 6dri by Molmil
NMR solution structure of Acan1 from the Ancylostoma caninum hookworm
分子名称: Acan1
著者Smallwood, T.B, Rosengren, K.J, Clark, R.J.
登録日2018-06-11
公開日2019-06-19
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献NMR solution structure of Acan1 from the Ancylostoma caninum hookworm
To Be Published
5LUT
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BU of 5lut by Molmil
Structures of DHBN domain of Gallus gallus BLM helicase
分子名称: BLM helicase, PHOSPHATE ION
著者Shi, J, Chen, W.-F, Zhang, B, Fan, S.-H, Ai, X, Liu, N.-N, Rety, S, Xi, X.-G.
登録日2016-09-09
公開日2017-03-01
最終更新日2017-04-19
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A helical bundle in the N-terminal domain of the BLM helicase mediates dimer and potentially hexamer formation.
J. Biol. Chem., 292, 2017
6DB7
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Crystal structure of anti-HIV-1 V3 Fab 1334 in complex with a HIV-1 gp120 V3 peptide from MN strain
分子名称: GLYCEROL, HIV-1 gp120 V3 peptide from MN strain, Human monoclonal anti-HIV-1 gp120 V3 antibody 1334 Fab heavy chain, ...
著者Chan, K.-W, Kong, X.-P.
登録日2018-05-02
公開日2018-07-11
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.213 Å)
主引用文献Structural Comparison of Human Anti-HIV-1 gp120 V3 Monoclonal Antibodies of the Same Gene Usage Induced by Vaccination and Chronic Infection.
J. Virol., 92, 2018
5LHH
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BU of 5lhh by Molmil
Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
分子名称: 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Cecatiello, V, Pasqualato, S.
登録日2016-07-11
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
6BGZ
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BU of 6bgz by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methyl-1H-imidazol-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N47)
分子名称: 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGU
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
分子名称: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
5LTO
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BU of 5lto by Molmil
Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Gln
分子名称: GLUTAMINE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ...
著者Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.459 Å)
主引用文献How Bacterial Chemoreceptors Evolve Novel Ligand Specificities
Mbio, 2020
6BQN
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BU of 6bqn by Molmil
Cryo-EM structure of ENaC
分子名称: 10D4 fab, 7B1 fab, EGFP-SCNN1G chimera, ...
著者Noreng, S, Bharadwaj, A, Posert, R, Yoshioka, C, Baconguis, I.
登録日2017-11-28
公開日2018-10-10
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the human epithelial sodium channel by cryo-electron microscopy.
Elife, 7, 2018
5LX5
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BU of 5lx5 by Molmil
CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP.
分子名称: DIPHOSPHATE, Nicotinamide phosphoribosyltransferase, [(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-5-[[[4-[6-(ethylamino)-5-(2-piperidin-1-ylethylcarbamoyl)pyridin-2-yl]-2-fluoranyl-phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
著者Bertrand, T, Marquette, J.P.
登録日2016-09-20
公開日2017-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献CRYSTAL STRUCTURE OF VISFATIN IN COMPLEX WITH SAR154782-RP
To Be Published
6BT0
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BU of 6bt0 by Molmil
CRYSTAL STRUCTURE OF RHEB IN COMPLEX WITH COMPOUND NR1
分子名称: 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ...
著者Mahoney, S.J.
登録日2017-12-04
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A small molecule inhibitor of Rheb selectively targets mTORC1 signaling.
Nat Commun, 9, 2018
2MQU
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BU of 2mqu by Molmil
Spatial structure of Hm-3, a membrane-active spider toxin affecting sodium channels
分子名称: Neurotoxin Hm-3
著者Myshkin, M.Y, Shenkarev, Z.O, Paramonov, A.S, Berkut, A.A, Grishin, E.V, Vassilevski, A.A.
登録日2014-06-27
公開日2014-11-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of membrane-active toxin from crab spider Heriaeus melloteei suggests parallel evolution of sodium channel gating modifiers in Araneomorphae and Mygalomorphae.
J. Biol. Chem., 290, 2015
6BH1
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BU of 6bh1 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52)
分子名称: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
2MT3
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Structure of -24 DNA binding domain of sigma 54 from E.coli
分子名称: RNA polymerase sigma-54 factor
著者Wemmer, D, Gao, Z, Pelton, J.
登録日2014-08-12
公開日2015-08-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of -24 DNA binding domain of sigma 54 from E.coli
To be Published
2N5Q
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BU of 2n5q by Molmil
Solution structure of cystein-rich peptide jS1 from Jasminum sambac
分子名称: cysteine-rich peptide jS1
著者Shin, J, Kumari, G, Serra, A, Nguyen, P.Q.T, Yoon, H, Tam, J.P.
登録日2015-07-24
公開日2016-07-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Identification of a cysteine-rich peptide family with unusual disulfide connectivity from Jasminum sambac
To be Published
6CJB
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Crystal structure of Cystathionine beta-lyase from Legionella pneumophila Philadelphia 1 covalently bound to Pyridoxal phosphate
分子名称: Cystathionine beta-lyase, FORMIC ACID, GLYCEROL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-02-26
公開日2018-03-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Cystathionine beta-lyase from Legionella pneumophila Philadelphia 1 covalently bound to Pyridoxal phosphate
to be published
6CMI
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Crystal Structure of the Hendra Virus Attachment G Glycoprotein Bound to a Potent Cross-Reactive Neutralizing Human Monoclonal Antibody m102.3
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, Glycoprotein G, ...
著者Xu, K, Nikolov, D.
登録日2018-03-05
公開日2018-04-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of the Hendra virus attachment G glycoprotein bound to a potent cross-reactive neutralizing human monoclonal antibody.
PLoS Pathog., 9, 2013
6CP8
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BU of 6cp8 by Molmil
Contact-dependent growth inhibition toxin-immunity protein complex from from E. coli 3006
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CdiA, CdiI, ...
著者Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
登録日2018-03-13
公開日2019-03-13
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
2NY4
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BU of 2ny4 by Molmil
HIV-1 gp120 Envelope Glycoprotein (K231C, T257S, E268C, S334A, S375W) Complexed with CD4 and Antibody 17b
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ...
著者Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D.
登録日2006-11-20
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
6CT8
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Selenomethionine structure of N-truncated R2-type pyocin tail fiber at 2.6 angstrom resolution
分子名称: NICKEL (II) ION, R2-type pyocin
著者Salazar, A.J, Sherekar, M, Saccettini, J.C.
登録日2018-03-22
公開日2019-02-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献R pyocin tail fiber structure reveals a receptor-binding domain with a lectin fold.
PLoS ONE, 14, 2019
2O1C
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BU of 2o1c by Molmil
Structure of the E. coli dihydroneopterin triphosphate pyrophosphohydrolase
分子名称: PYROPHOSPHATE, SULFATE ION, dATP pyrophosphohydrolase
著者Gabelli, S.B, Bianchet, M.A, Amzel, L.M.
登録日2006-11-28
公開日2007-08-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the E. coli dihydroneopterin triphosphate pyrophosphatase: a Nudix enzyme involved in folate biosynthesis.
Structure, 15, 2007
6DEN
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BU of 6den by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron ethyl
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, CARBON DIOXIDE, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.806 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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