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5IUL
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BU of 5iul by Molmil
Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Trajtenberg, F, Imelio, J.A, Larrieux, N, Buschiazzo, A.
Deposit date:2016-03-18
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action.
Elife, 5, 2016
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
3CZV
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BU of 3czv by Molmil
Crystal structure of the human carbonic anhydrase XIII in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 13, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2008-04-30
Release date:2008-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
3LKK
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BU of 3lkk by Molmil
Crystal structure of the isopentenyl phosphate kinase substrate complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Gamma-glutamyl kinase related protein, Isopentenyl phosphate
Authors:Mabanglo, M.F, Hill, C.P.
Deposit date:2010-01-27
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
8T0F
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BU of 8t0f by Molmil
Crystal structure of the PEG10 promoter-bound ONECUT2 DNA-binding domain
Descriptor: DNA (5'-D(P*AP*GP*AP*TP*CP*GP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*CP*GP*AP*TP*CP*T)-3'), One cut domain family member 2
Authors:Chatterjee, A, Katiki, M, Murali, R.
Deposit date:2023-05-31
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of the PEG10 promoter-bound ONECUT2 DNA-binding domain
To Be Published
8T11
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BU of 8t11 by Molmil
Crystal structure of the PEG10 promoter-bound ONECUT2 R479A/R480A mutant DNA-binding domain
Descriptor: DNA (5'-D(P*AP*GP*AP*TP*CP*GP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*CP*GP*AP*TP*CP*T)-3'), One cut domain family member 2
Authors:Chatterjee, A, Katiki, M, Murali, R.
Deposit date:2023-06-01
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of the PEG10 promoter-bound ONECUT2 R479A/R480A mutant DNA-binding domain
To Be Published
8THW
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BU of 8thw by Molmil
Cac1 PIP motif bound to PCNA
Descriptor: Proliferating cell nuclear antigen,Chromatin assembly factor 1 subunit p90
Authors:Veltri, E, Hoitsma, N.M, Dieckman, L.
Deposit date:2023-07-18
Release date:2024-09-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for the Interaction Between Yeast Chromatin Assembly Factor 1 and Proliferating Cell Nuclear Antigen.
J.Mol.Biol., 436, 2024
6WON
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BU of 6won by Molmil
Crystal structure of acetoin dehydrogenase YohF from Salmonella typhimurium
Descriptor: CHLORIDE ION, SULFATE ION, YohF
Authors:Stogios, P.J, Skarina, T, Mesa, N, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-25
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of acetoin dehydrogenase YohF from Salmonella typhimurium
To Be Published
8U0G
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BU of 8u0g by Molmil
Full-length dimer of DNA-Damage Response Protein C from Deinococcus radiodurans - Crystal form xMJ7124
Descriptor: DNA damage response protein C
Authors:Szabla, R, Li, M.C, Junop, M.S.
Deposit date:2023-08-29
Release date:2023-09-06
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (4.28 Å)
Cite:DdrC, a unique DNA repair factor from D. radiodurans, senses and stabilizes DNA breaks through a novel lesion-recognition mechanism.
Nucleic Acids Res., 52, 2024
6WOP
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BU of 6wop by Molmil
Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
Descriptor: 4-aminobutyrate transaminase, CHLORIDE ION, D(-)-TARTARIC ACID
Authors:Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-25
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of gamma-aminobutyrate aminotransferase PuuE from Acinetobacter baumannii
To Be Published
3LUJ
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BU of 3luj by Molmil
Crystal structure of MID domain from hAGO2 in complex with UMP
Descriptor: Protein argonaute-2, URIDINE-5'-MONOPHOSPHATE
Authors:Frank, F, Sonenberg, N, Nagar, B.
Deposit date:2010-02-17
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural basis for 5'-nucleotide base-specific recognition of guide RNA by human AGO2.
Nature, 465, 2010
4G43
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BU of 4g43 by Molmil
Structure of the chicken MHC class I molecule BF2*0401 complexed to P5E
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-MERIC PEPTIDE P5E, Beta-2 microglobulin, ...
Authors:Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
Deposit date:2012-07-16
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
3D6R
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BU of 3d6r by Molmil
Structure of an avian influenza A virus NS1 protein effector domain
Descriptor: Non-structural protein 1
Authors:Hale, B.G, Barclay, W.S, Randall, R.E, Russell, R.J.
Deposit date:2008-05-20
Release date:2008-08-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structure of an avian influenza A virus NS1 protein effector domain.
Virology, 378, 2008
2WQX
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BU of 2wqx by Molmil
InlB321_4R: S199R, D200R, G206R, A227R, C242A mutant of the Listeria monocytogenes InlB internalin domain
Descriptor: INTERNALIN B
Authors:Niemann, H.H, Ferraris, D.M, Heinz, D.W.
Deposit date:2009-08-27
Release date:2009-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Ligand-Mediated Dimerization of the met Receptor Tyrosine Kinase by the Bacterial Invasion Protein Inlb.
J.Mol.Biol., 395, 2010
6WQF
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BU of 6wqf by Molmil
Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-04-28
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural plasticity of SARS-CoV-2 3CL Mproactive site cavity revealed by room temperature X-ray crystallography.
Nat Commun, 11, 2020
2BZ0
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BU of 2bz0 by Molmil
Crystal Structure of E. coli GTP cyclohydrolase II in complex with GTP analogue, GMPcPP, and Zinc
Descriptor: GTP CYCLOHYDROLASE II, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2005-08-09
Release date:2005-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:GTP Cyclohydrolase II Structure and Mechanism.
J.Biol.Chem., 280, 2005
6WXM
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BU of 6wxm by Molmil
X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 16-36
Descriptor: Amyloid-beta protein, HEXANE-1,6-DIOL
Authors:Kreutzer, A.G, Nowick, J.S.
Deposit date:2020-05-11
Release date:2020-07-08
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray Crystallography Reveals Parallel and Antiparallel beta-Sheet Dimers of a beta-Hairpin Derived from A beta16-36that Assemble to Form Different Tetramers.
Acs Chem Neurosci, 11, 2020
6X3R
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BU of 6x3r by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
Descriptor: Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
Authors:Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
Deposit date:2020-05-21
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
6WH8
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BU of 6wh8 by Molmil
The structure of NTMT1 in complex with compound BM-30
Descriptor: 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ...
Authors:Noinaj, N, Chen, D, Huang, R.
Deposit date:2020-04-07
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies.
J.Med.Chem., 63, 2020
6WXK
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BU of 6wxk by Molmil
PHF23 PHD Domain Apo
Descriptor: PHD finger protein 23, ZINC ION
Authors:Vann, K.R, Zhang, J, Zhang, Y, Kutateladze, T.
Deposit date:2020-05-11
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic insights into chromatin targeting by leukemic NUP98-PHF23 fusion.
Nat Commun, 11, 2020
8U7G
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BU of 8u7g by Molmil
Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CIB_13 Beta-galactosidase, GLYCEROL
Authors:Stogios, P.J.
Deposit date:2023-09-15
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum
To Be Published
8U7F
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BU of 8u7f by Molmil
Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum
Descriptor: CIB_12 Beta-galactosidase, GLYCEROL
Authors:Stogios, P.J, Skarina, T, Di Leo, R, Yakunin, A, Golyshin, P, Savchenko, A.
Deposit date:2023-09-15
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum
To Be Published
3MIS
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BU of 3mis by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8G)
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ...
Authors:Taylor, G.K, Stoddard, B.L.
Deposit date:2010-04-12
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
4ERN
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BU of 4ern by Molmil
Crystal structure of the C-terminal domain of human XPB/ERCC-3 excision repair protein at 1.80 A
Descriptor: TFIIH basal transcription factor complex helicase XPB subunit
Authors:Hilario, E, Li, Y, Fan, L.
Deposit date:2012-04-20
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the C-terminal half of human XPB helicase and the impact of the disease-causing mutation XP11BE.
Acta Crystallogr.,Sect.D, 69, 2013
6WW3
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BU of 6ww3 by Molmil
Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ...
Authors:Liu, J, Vann, K.R, Kutateladze, T.G.
Deposit date:2020-05-07
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020

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