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6F8R
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BU of 6f8r by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-54
Descriptor: (2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
5J7O
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BU of 5j7o by Molmil
Faustovirus major capsid protein
Descriptor: major capsid protein, unknown
Authors:Klose, T, Rossmann, M.G.
Deposit date:2016-04-06
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
7AEM
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BU of 7aem by Molmil
Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2020-09-17
Release date:2021-04-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Abstract 4451: Evaluation of the therapeutic potential of phosphine oxide pyrazole inhibitors in tumors harboring EGFR C797S mutation
Cancer Res., 79, 2019
4M4O
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BU of 4m4o by Molmil
Crystal structure of the aptamer minE-lysozyme complex
Descriptor: Lysozyme C, MAGNESIUM ION, RNA (59-MER), ...
Authors:Malashkevich, V.N, Padlan, F.C, Toro, R, Girvin, M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-07
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the aptamer minE-lysozyme complex
to be published
4M54
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BU of 4m54 by Molmil
The structure of the staphyloferrin B precursor biosynthetic enzyme SbnB bound to N-(1-amino-1-carboxyl-2-ethyl)-glutamic acid and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid, ...
Authors:Kobylarz, M.J, Murphy, M.E.P.
Deposit date:2013-08-07
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Synthesis of L-2,3-diaminopropionic acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
6FDC
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BU of 6fdc by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-32a
Descriptor: (2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, (2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol, 1,2-ETHANEDIOL, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-22
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6W4W
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BU of 6w4w by Molmil
Crystal Structure of the Fab fragment of humanized 5c8 antibody
Descriptor: 5c8 Fab heavy chain, 5c8 Fab light chain
Authors:Henderson, J.N, Mills, J.H, Simmons, C.R.
Deposit date:2020-03-11
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Insights into How Protein Environments Tune the Spectroscopic Properties of a Noncanonical Amino Acid Fluorophore.
Biochemistry, 59, 2020
2A29
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BU of 2a29 by Molmil
The solution structure of the AMP-PNP bound nucleotide binding domain of KdpB
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Potassium-transporting ATPase B chain
Authors:Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H.
Deposit date:2005-06-22
Release date:2005-12-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Holo-form of the Nucleotide Binding Domain of the KdpFABC Complex from Escherichia coli Reveals a New Binding Mode
J.Biol.Chem., 281, 2006
3BPN
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BU of 3bpn by Molmil
Crystal structure of the IL4-IL4R-IL13Ra ternary complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-13 receptor alpha-1 chain, Interleukin-4, ...
Authors:Garcia, K.C.
Deposit date:2007-12-18
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
4MC9
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BU of 4mc9 by Molmil
HIV protease in complex with AA74
Descriptor: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4M7T
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BU of 4m7t by Molmil
Crystal structure of BtrN in complex with AdoMet and 2-DOIA
Descriptor: (1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol, BtrN, GLYCEROL, ...
Authors:Drennan, C.L, Goldman, P.J.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:X-ray analysis of butirosin biosynthetic enzyme BtrN redefines structural motifs for AdoMet radical chemistry.
Proc.Natl.Acad.Sci.USA, 110, 2013
4M7Z
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BU of 4m7z by Molmil
Unliganded 1 crystal structure of S25-26 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Haji-Ghassemi, O, Evans, S.V, Muller-Loennies, S, Saldova, R, Muniyappa, M, Brade, L, Rudd, P.M, Harvey, D.J, Kosma, P, Brade, H.
Deposit date:2013-08-12
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Groove-type Recognition of Chlamydiaceae-specific Lipopolysaccharide Antigen by a Family of Antibodies Possessing an Unusual Variable Heavy Chain N-Linked Glycan.
J.Biol.Chem., 289, 2014
4MCV
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BU of 4mcv by Molmil
Star 12 bound to analog-sensitive Src kinase
Descriptor: (7S)-12-(4-aminobutyl)-7-(2-methylpropyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, Proto-oncogene tyrosine-protein kinase Src
Authors:Lopez, M.S, Shokat, K.M.
Deposit date:2013-08-21
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Staurosporine-derived inhibitors broaden the scope of analog-sensitive kinase technology.
J.Am.Chem.Soc., 135, 2013
3BSH
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BU of 3bsh by Molmil
Barley alpha-amylase isozyme 1 (AMY1) double mutant Y105A/Y380A in complex with inhibitor acarbose
Descriptor: Alpha-amylase type A isozyme, CALCIUM ION, beta-D-glucopyranose
Authors:Aghajari, N, Robert, X, Haser, R.
Deposit date:2007-12-24
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Multi-site substrate binding and interplay in barley alpha-amylase 1
Febs Lett., 582, 2008
6VLE
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BU of 6vle by Molmil
Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form
Descriptor: Alpha-(1,6)-fucosyltransferase, SULFATE ION
Authors:Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D.
Deposit date:2020-01-23
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
J.Biol.Chem., 295, 2020
3BM3
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BU of 3bm3 by Molmil
Restriction endonuclease PspGI-substrate DNA complex
Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ...
Authors:Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M.
Deposit date:2007-12-12
Release date:2008-09-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides
To be Published
6W3Z
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BU of 6w3z by Molmil
Crystal Structure of Brugia malayi Deoxyhypusine synthase (DHPS)
Descriptor: BMA-DHPS-1, isoform a, CHLORIDE ION, ...
Authors:Santiago, A.S, dos Reis, C.V, Ramos, P.Z, Klippel, H.A, Silva, S.F, Zanelli, C.F, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
Deposit date:2020-03-09
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural features and development of an assay platform of the parasite target deoxyhypusine synthase of Brugia malayi and Leishmania major.
Plos Negl Trop Dis, 14, 2020
3C1B
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BU of 3c1b by Molmil
The effect of H3 K79 dimethylation and H4 K20 trimethylation on nucleosome and chromatin structure
Descriptor: Histone 2, H2bf, Histone H2A type 1, ...
Authors:Lu, X, Simon, M, Chodaparambil, J, Hansen, J, Shokat, K, Luger, K.
Deposit date:2008-01-22
Release date:2008-10-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The effect of H3K79 dimethylation and H4K20 trimethylation on nucleosome and chromatin structure.
Nat.Struct.Mol.Biol., 15, 2008
3C2A
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BU of 3c2a by Molmil
Antibody Fab fragment 447-52D in complex with UG1033 peptide
Descriptor: Envelope glycoprotein, Fab 447-52D heavy chain, Fab 447-52D light chain
Authors:Dhillon, A.K, Stanfield, R.L, Wilson, I.A.
Deposit date:2008-01-24
Release date:2008-07-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure determination of an anti-HIV-1 Fab 447-52D-peptide complex from an epitaxially twinned data set
Acta Crystallogr.,Sect.D, 64, 2008
6W7P
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BU of 6w7p by Molmil
Crystal Structure Analysis of Space-grown Lysozyme - Ground experiment
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Fernandez, D, Russi, S.
Deposit date:2020-03-19
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein structural changes on a CubeSat under rocket acceleration profile.
NPJ Microgravity, 6, 2020
5J7U
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BU of 5j7u by Molmil
Faustovirus major capsid protein
Descriptor: major capsid protein, unknown
Authors:Klose, T, Rossmann, M.G.
Deposit date:2016-04-06
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
6W0T
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BU of 6w0t by Molmil
Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments
Descriptor: 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid, Non-structural protein 3
Authors:Wu, M, Zhang, S.
Deposit date:2020-03-02
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
6FIR
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BU of 6fir by Molmil
Human cytosolic 5'-nucleotidase II soaked with 5mM3-Phenyl-N-(9H-purin-6-yl)benzamide
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
1QL2
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BU of 1ql2 by Molmil
Inovirus (Filamentous Bacteriophage) Strain PF1 Major Coat Protein Assembly
Descriptor: PF1 BACTERIOPHAGE COAT PROTEIN B
Authors:Welsh, L.C, Symmons, M.F, Marvin, D.A.
Deposit date:1999-08-20
Release date:2000-02-07
Last modified:2024-02-14
Method:FIBER DIFFRACTION (3.1 Å)
Cite:The Molecular Structure and Structural Transition of the Alpha-Helical Capsid in Filamentous Bacteriophage Pf1
Acta Crystallogr.,Sect.D, 56, 2000
5B6X
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BU of 5b6x by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016

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