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5L84
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BU of 5l84 by Molmil
Structure of the H959F variant of the PpsC dehydratase domain from Mycobacterium tuberculosis
Descriptor: Phthiocerol synthesis polyketide synthase type I PpsC
Authors:Faille, A, Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2016-06-07
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
4TLS
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BU of 4tls by Molmil
Crystal Structure of Human Transthyretin Glu92Pro Mutant
Descriptor: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4RWX
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BU of 4rwx by Molmil
Crystal Structure of L. monocytogenes PstA
Descriptor: Lmo2692 protein
Authors:Choi, P.H, Tong, L.
Deposit date:2014-12-07
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the recognition of cyclic-di-AMP by PstA, a PII -like signal transduction protein.
Microbiologyopen, 4, 2015
4S1B
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BU of 4s1b by Molmil
Crystal Structure of L. monocytogenes phosphodiesterase PgpH HD domain in complex with Cyclic-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, FE (III) ION, Lmo1466 protein
Authors:Luo, S, Tong, L.
Deposit date:2015-01-12
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:An HD-domain phosphodiesterase mediates cooperative hydrolysis of c-di-AMP to affect bacterial growth and virulence.
Proc.Natl.Acad.Sci.USA, 112, 2015
5URN
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BU of 5urn by Molmil
NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65
Descriptor: RNA polymerase II transcription factor B subunit 1, Transcription factor p65
Authors:Lecoq, L, Omichinski, J.G, Raiola, L, Cyr, N, Chabot, P, Arseneault, G, Legault, P.
Deposit date:2017-02-11
Release date:2017-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
4AC7
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BU of 4ac7 by Molmil
The crystal structure of Sporosarcina pasteurii urease in complex with citrate
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, HYDROXIDE ION, ...
Authors:Benini, S, Kosikowska, P, Cianci, M, Gonzalez Vara, A, Berlicki, L, Ciurli, S.
Deposit date:2011-12-14
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of Sporosarcina Pasteurii Urease in a Complex with Citrate Provides New Hints for Inhibitor Design.
J.Biol.Inorg.Chem., 18, 2013
5VGT
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BU of 5vgt by Molmil
X-ray structure of bacteriophage Sf6 tail adaptor protein gp7
Descriptor: CALCIUM ION, Gene 7 protein, MAGNESIUM ION
Authors:Tang, L, Liang, L, Zhao, H.
Deposit date:2017-04-11
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:High-resolution structure of podovirus tail adaptor suggests repositioning of an octad motif that mediates the sequential tail assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
Descriptor: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
Authors:Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
Deposit date:2015-02-09
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
1OQ6
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BU of 1oq6 by Molmil
solution structure of Copper-S46V CopA from Bacillus subtilis
Descriptor: COPPER (II) ION, Potential copper-transporting ATPase
Authors:Banci, L, Bertini, I, Ciofi-Baffoni, S, Gonnelli, l, Su, X.C, Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-07
Release date:2003-09-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A core mutation affecting the folding properties of a soluble domain of the ATPase protein CopA from Bacillus subtilis
J.Mol.Biol., 331, 2003
6ENM
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BU of 6enm by Molmil
Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168.
Descriptor: 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Vera, L, Nuti, E, Rossello, A, Stura, E.A.
Deposit date:2017-10-05
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
6DCG
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BU of 6dcg by Molmil
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
Descriptor: (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
4ZN2
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BU of 4zn2 by Molmil
Glycosyl hydrolase from Pseudomonas aeruginosa
Descriptor: PslG
Authors:Su, T, Liu, S, Gu, L.
Deposit date:2015-05-04
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix
Cell Res., 25, 2015
4U7P
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BU of 4u7p by Molmil
Crystal structure of DNMT3A-DNMT3L complex
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.821 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
4Z16
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BU of 4z16 by Molmil
Crystal Structure of the Jak3 Kinase Domain Covalently Bound to N-(3-(((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)methyl)phenyl)acrylamide
Descriptor: N-(3-{[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]methyl}phenyl)prop-2-enamide, Tyrosine-protein kinase JAK3
Authors:McNally, R, Tan, L, Gray, N.S, Eck, M.J.
Deposit date:2015-03-26
Release date:2016-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Development of Selective Covalent Janus Kinase 3 Inhibitors.
J.Med.Chem., 58, 2015
4U7T
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BU of 4u7t by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with histone H3
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
1QV1
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BU of 1qv1 by Molmil
Atomic resolution structure of obelin from Obelia longissima
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION, COBALT (II) ION, ...
Authors:Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C.
Deposit date:2003-08-26
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
4UP7
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BU of 4up7 by Molmil
Crystal structure of Entamoeba histolytica lysyl-tRNA synthetase in complex with lysyl-adenylate
Descriptor: ADENOSINE-5'-[LYSYL-PHOSPHATE], LYSINE--TRNA LIGASE
Authors:Bonnefond, L, Nureki, O.
Deposit date:2014-06-14
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Crystal Structures of Entamoeba Histolytica Lysyl-tRNA Synthetase Reveal Conformational Changes Upon Lysine Binding and a Specific Helix Bundle Domain.
FEBS Lett., 588, 2014
4BCZ
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BU of 4bcz by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form.
Descriptor: SUPEROXIDE DISMUTASE [CU-ZN]
Authors:Saraboji, K, Awad, W, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
Deposit date:2012-10-03
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ERA
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BU of 4era by Molmil
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Descriptor: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, COBALT (II) ION
Authors:Huo, L, Fielding, A.J, Chen, Y, Li, T, Iwaki, H, Hosler, J.P, Chen, L, Hasegawa, Y, Que Jr, L, Liu, A.
Deposit date:2012-04-19
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Biochemistry, 51, 2012
3ZHM
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BU of 3zhm by Molmil
N-terminal domain of the CI repressor from bacteriophage TP901-1 in complex with the OL2 operator half-site
Descriptor: 5'-D(*AP*CP*GP*TP*GP*AP*AP*CP*TP*TP*GP*CP*AP*CP *TP*TP*GP*A)-3', 5'-D(*AP*GP*TP*TP*CP*AP*CP*GP*TP*TP*CP*AP*AP*GP *TP*GP*CP*A)-3', CI
Authors:Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L.
Deposit date:2012-12-22
Release date:2013-12-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
1QV0
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BU of 1qv0 by Molmil
Atomic resolution structure of obelin from Obelia longissima
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, COBALT (II) ION, GLYCEROL, ...
Authors:Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C.
Deposit date:2003-08-26
Release date:2003-11-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
1AYO
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BU of 1ayo by Molmil
RECEPTOR BINDING DOMAIN OF BOVINE ALPHA-2-MACROGLOBULIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-2-MACROGLOBULIN, CALCIUM ION
Authors:Jenner, L.B, Husted, L, Thirup, S, Sottrup-Jensen, L, Nyborg, J.
Deposit date:1997-11-07
Release date:1998-11-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the receptor-binding domain of alpha 2-macroglobulin.
Structure, 6, 1998
3ZOQ
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BU of 3zoq by Molmil
Structure of BsUDG-p56 complex
Descriptor: CHLORIDE ION, GLYCEROL, P56, ...
Authors:Banos-Sanz, J.I, Mojardin, L, Sanz-Aparicio, J, Gonzalez, B, Salas, M.
Deposit date:2013-02-22
Release date:2013-05-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure and Functional Insights Into Uracil-DNA Glycosylase Inhibition by Phage Phi29 DNA Mimic Protein P56
Nucleic Acids Res., 41, 2013
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
4BCY
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BU of 4bcy by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, mutation H43F
Descriptor: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
Authors:Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T.
Deposit date:2012-10-03
Release date:2013-02-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.272 Å)
Cite:Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013

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