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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
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite: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
Descriptor: Acyl carrier protein phosphodiesterase, FLAVIN MONONUCLEOTIDE
Authors:Zhang, R, Wu, R, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-05-03
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-16
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite: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
Descriptor: 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
Authors:Sjogren, T, Ekroos, M.
Deposit date:2007-05-15
Release date:2007-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.389 Å)
Cite: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
Descriptor: Acyl carrier protein phosphodiesterase, SULFATE ION
Authors:Rajashankar, K.R, Kniewel, R, Solorzano, V, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-06-02
Release date:2004-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Aquaporin-2, CADMIUM ION, ZINC ION
Authors:Frick, A, Eriksson, U, Mattia, F.D, Oberg, F, Hedfalk, K, Neutze, R, Grip, W.D, Deen, P.M.T, Tornroth-horsefield, S.
Deposit date:2013-10-29
Release date:2014-04-16
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-10-24
Release date:2021-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.089 Å)
Cite: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)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
Authors: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)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA translocase FtsK, dsDNA substrate
Authors:Jean, N.L, Lowe, J.
Deposit date:2019-10-24
Release date:2019-11-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite: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
Descriptor: Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM
Authors:Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I.
Deposit date:2019-10-29
Release date:2020-09-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: Integration host factor MIHF
Authors:Herrmann, T.
Deposit date:2019-12-11
Release date:2019-12-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite: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.
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D.
Deposit date:2018-04-16
Release date:2019-11-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Lin, Z, Gasic, I, Chandrasekaran, V, Peters, N, Shao, S, Ramakrishnan, V, Mitchison, T.J, Hegde, R.S.
Deposit date:2019-10-15
Release date:2019-11-27
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite: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)
Descriptor: GLYCEROL, SODIUM ION, Serine/threonine protein kinase
Authors:Burda, P.C, Crosskey, T.D, Lauk, K, Wilmanns, M, Gilberger, T.W.
Deposit date:2019-12-02
Release date:2020-06-24
Last modified:2024-01-24
Method:SOLUTION SCATTERING (2.85 Å), X-RAY DIFFRACTION
Cite: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
Descriptor: (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, ...
Authors:Schoch, G.A, Yano, J.K, Sansen, S, Stout, C.D, Johnson, E.F.
Deposit date:2008-01-30
Release date:2008-04-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Manvilla, B.A, Toth, E.A, Drohat, A.C.
Deposit date:2012-02-03
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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
Descriptor: 3-ketoacyl-acyl carrier protein reductase
Authors:Xue, S, Liu, Y.
Deposit date:2014-12-22
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.891 Å)
Cite: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
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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
Descriptor: GLUTATHIONE, GLYCEROL, POTASSIUM ION, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I.
Deposit date:2019-10-13
Release date:2020-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 3A4
Authors:Yano, J.K, Wester, M.R, Schoch, G.A, Griffin, K.J, Stout, C.D, Johnson, E.F.
Deposit date:2004-06-17
Release date:2004-07-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 14-3-3 protein gamma, Nonstructural protein 1, UNKNOWN ATOM OR ION, ...
Authors:Qin, S, Liu, Y, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-18
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2019-11-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
6D2K
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BU of 6d2k by Molmil
Crystal structure of the FERM domain of mouse FARP2
Descriptor: FERM, ARHGEF and pleckstrin domain-containing protein 2
Authors:He, X, Zhang, X.
Deposit date:2018-04-13
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural analyses of FERM domain-mediated membrane localization of FARP1.
Sci Rep, 8, 2018
7N88
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BU of 7n88 by Molmil
The cryoEM structure of LbpB from N. gonorrhoeae in complex with lactoferrin
Descriptor: BICARBONATE ION, FE (III) ION, Lactoferrin-binding protein B, ...
Authors:Yadav, R, Noinaj, N.
Deposit date:2021-06-14
Release date:2021-12-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into the dual function of LbpB in mediating Neisserial pathogenesis.
Elife, 10, 2021

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