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6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
1T5B
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BU of 1t5b by Molmil
Structural genomics, A protein from Salmonella typhimurium similar to E. coli acyl carrier protein phosphodiesterase
分子名称: Acyl carrier protein phosphodiesterase, FLAVIN MONONUCLEOTIDE
著者Zhang, R, Wu, R, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-05-03
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献1.4 A crystal structure of a protein from Salmonella typhimurium similar to E. coli acyl carrier protein phosphodiesterase
To be Published
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-16
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
2V0M
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BU of 2v0m by Molmil
Crystal structure of human P450 3A4 in complex with ketoconazole
分子名称: 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
著者Sjogren, T, Ekroos, M.
登録日2007-05-15
公開日2007-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Ligand Promiscuity in Cytochrome P450 3A4
Proc.Natl.Acad.Sci.USA, 103, 2006
7KIV
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BU of 7kiv by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
1TIK
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BU of 1tik by Molmil
CRYSTAL STRUCTURE OF ACYL CARRIER PROTEIN PHOSPHODIESTERASE
分子名称: Acyl carrier protein phosphodiesterase, SULFATE ION
著者Rajashankar, K.R, Kniewel, R, Solorzano, V, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-06-02
公開日2004-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献CRYSTAL STRUCTURE OF ACYL CARRIER PROTEIN PHOSPHODIESTERASE
To be Published
4NEF
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BU of 4nef by Molmil
X-ray structure of human Aquaporin 2
分子名称: Aquaporin-2, CADMIUM ION, ZINC ION
著者Frick, A, Eriksson, U, Mattia, F.D, Oberg, F, Hedfalk, K, Neutze, R, Grip, W.D, Deen, P.M.T, Tornroth-horsefield, S.
登録日2013-10-29
公開日2014-04-16
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献X-ray structure of human aquaporin 2 and its implications for nephrogenic diabetes insipidus and trafficking
Proc.Natl.Acad.Sci.USA, 111, 2014
7KIT
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BU of 7kit by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with WCK 4234
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
著者van den Akker, F.
登録日2020-10-24
公開日2021-01-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural Characterization of Diazabicyclooctane beta-Lactam "Enhancers" in Complex with Penicillin-Binding Proteins PBP2 and PBP3 of Pseudomonas aeruginosa.
Mbio, 12, 2021
4F0R
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BU of 4f0r by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
著者Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-04
公開日2012-06-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
To be Published
6T8O
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BU of 6t8o by Molmil
Stalled FtsK motor domain bound to dsDNA end
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA translocase FtsK, dsDNA substrate
著者Jean, N.L, Lowe, J.
登録日2019-10-24
公開日2019-11-20
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献FtsK in motion reveals its mechanism for double-stranded DNA translocation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TA6
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BU of 6ta6 by Molmil
MexAB assembly of the Pseudomonas MexAB-OprM efflux pump reconstituted in nanodiscs
分子名称: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
著者Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
登録日2019-10-29
公開日2020-09-16
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex.
Nat Commun, 11, 2020
6TOB
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BU of 6tob by Molmil
Structural and DNA Binding Properties of Mycobacterial Integration Host Factor mIHF
分子名称: Integration host factor MIHF
著者Herrmann, T.
登録日2019-12-11
公開日2019-12-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural and DNA binding properties of mycobacterial integration host factor mIHF.
J.Struct.Biol., 209, 2020
6D3Q
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BU of 6d3q by Molmil
Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.
分子名称: Enolase, GLYCEROL, MAGNESIUM ION, ...
著者Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D.
登録日2018-04-16
公開日2019-11-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
6T59
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BU of 6t59 by Molmil
Structure of rabbit 80S ribosome translating beta-tubulin in complex with tetratricopeptide protein 5 and nascent chain-associated complex
分子名称: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S.
登録日2019-10-15
公開日2019-11-27
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献TTC5 mediates autoregulation of tubulin via mRNA degradation.
Science, 367, 2020
6TLB
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BU of 6tlb by Molmil
Plasmodium falciparum lipocalin (PF3D7_0925900)
分子名称: GLYCEROL, SODIUM ION, Serine/threonine protein kinase
著者Burda, P.C, Crosskey, T.D, Lauk, K, Wilmanns, M, Gilberger, T.W.
登録日2019-12-02
公開日2020-06-24
最終更新日2024-01-24
実験手法SOLUTION SCATTERING (2.85 Å), X-RAY DIFFRACTION
主引用文献Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum.
Cell Rep, 31, 2020
2VN0
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BU of 2vn0 by Molmil
CYP2C8DH COMPLEXED WITH TROGLITAZONE
分子名称: (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, CYTOCHROME P450 2C8, PALMITIC ACID, ...
著者Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
登録日2008-01-30
公開日2008-04-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Determinants of cytochrome P450 2C8 substrate binding: structures of complexes with montelukast, troglitazone, felodipine, and 9-cis-retinoic acid.
J. Biol. Chem., 283, 2008
4DK9
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BU of 4dk9 by Molmil
Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA
分子名称: 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ...
著者Manvilla, B.A, Toth, E.A, Drohat, A.C.
登録日2012-02-03
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA.
J.Mol.Biol., 420, 2012
4RZI
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BU of 4rzi by Molmil
Crystal structure of PhaB from Synechocystis sp. PCC 6803
分子名称: 3-ketoacyl-acyl carrier protein reductase
著者Xue, S, Liu, Y.
登録日2014-12-22
公開日2015-09-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.891 Å)
主引用文献Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
6T4C
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BU of 6t4c by Molmil
Bovine enterovirus F3 in complex with glutathione
分子名称: GLUTATHIONE, GLYCEROL, POTASSIUM ION, ...
著者Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I.
登録日2019-10-13
公開日2020-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
1TQN
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BU of 1tqn by Molmil
Crystal Structure of Human Microsomal P450 3A4
分子名称: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 3A4
著者Yano, J.K, Wester, M.R, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F.
登録日2004-06-17
公開日2004-07-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
J.Biol.Chem., 279, 2004
4O46
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BU of 4o46 by Molmil
14-3-3-gamma in complex with influenza NS1 C-terminal tail phosphorylated at S228
分子名称: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
著者Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-18
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
6TCH
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Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
分子名称: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
著者Somsen, B.A, Ottmann, C.
登録日2019-11-06
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
6D2K
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Crystal structure of the FERM domain of mouse FARP2
分子名称: FERM, ARHGEF and pleckstrin domain-containing protein 2
著者He, X, Zhang, X.
登録日2018-04-13
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural analyses of FERM domain-mediated membrane localization of FARP1.
Sci Rep, 8, 2018
7N88
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The cryoEM structure of LbpB from N. gonorrhoeae in complex with lactoferrin
分子名称: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
著者Yadav, R, Noinaj, N.
登録日2021-06-14
公開日2021-12-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021

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