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4MIS
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BU of 4mis by Molmil
The structure of Brucella abortus PliC in the orthorombic crystal form
Descriptor: Putative uncharacterized protein
Authors:Ha, N.C, Um, S.H, Kim, J.S.
Deposit date:2013-09-02
Release date:2014-07-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the inhibition of human lysozyme by PliC from Brucella abortus
Biochemistry, 52, 2013
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Descriptor: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
2L3E
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BU of 2l3e by Molmil
Solution structure of P2a-J2a/b-P2b of human telomerase RNA
Descriptor: 35-MER
Authors:Zhang, Q, Kim, N, Peterson, R.D, Wang, Z, Feigon, J.
Deposit date:2010-09-13
Release date:2010-11-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Inaugural Article: Structurally conserved five nucleotide bulge determines the overall topology of the core domain of human telomerase RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
2M8K
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BU of 2m8k by Molmil
A pyrimidine motif triple helix in the Kluyveromyces lactis telomerase RNA pseudoknot is essential for function in vivo
Descriptor: RNA (48-MER)
Authors:Cash, D.D, Cohen, O, Kim, N, Shefer, K, Brown, Y, Ulyanov, N.B, Tzfati, Y, Feigon, J.
Deposit date:2013-05-22
Release date:2013-06-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Pyrimidine motif triple helix in the Kluyveromyces lactis telomerase RNA pseudoknot is essential for function in vivo.
Proc.Natl.Acad.Sci.USA, 110, 2013
7V6H
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BU of 7v6h by Molmil
Crystal Structure of the SpnL
Descriptor: Cyclopropane fatty-acyl-phospholipid synthase-like methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, H.-H, Ko, T.-P, Liu, H.-W, Tsai, M.-D.
Deposit date:2021-08-20
Release date:2021-12-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.054 Å)
Cite:Evidence for an Enzyme-Catalyzed Rauhut-Currier Reaction during the Biosynthesis of Spinosyn A.
J.Am.Chem.Soc., 143, 2021
1IBQ
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BU of 1ibq by Molmil
ASPERGILLOPEPSIN FROM ASPERGILLUS PHOENICIS
Descriptor: ASPERGILLOPEPSIN, ZINC ION, alpha-D-mannopyranose
Authors:Cho, S.W, Shin, W.
Deposit date:2001-03-28
Release date:2001-07-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of aspergillopepsin I from Aspergillus phoenicis: variations of the S1'-S2 subsite in aspartic proteinases.
Acta Crystallogr.,Sect.D, 57, 2001
3LWG
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BU of 3lwg by Molmil
Crystal structure of HP0420-homologue C46A from helicobacter felis
Descriptor: HP0420 homologue
Authors:Ha, N.-C, Piao, S.
Deposit date:2010-02-23
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and functional insight of HP0420-homolog from Helicobacter felis
Biochem.Biophys.Res.Commun., 394, 2010
3LW3
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BU of 3lw3 by Molmil
Crystal structure of HP0420-homologue from Helicobacter felis
Descriptor: HP0420 homologue
Authors:Ha, N.-C, Piao, S.
Deposit date:2010-02-23
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure and functional insight of HP0420-homolog from Helicobacter felis
Biochem.Biophys.Res.Commun., 394, 2010
3V6R
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BU of 3v6r by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.V, Laughlin, J.D.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
3V6S
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BU of 3v6s by Molmil
Discovery of potent and selective covalent inhibitors of JNK
Descriptor: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, Laughlin, J.D, LoGrasso, P.V.
Deposit date:2011-12-20
Release date:2012-02-01
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Discovery of potent and selective covalent inhibitors of JNK.
Chem.Biol., 19, 2012
1WZ9
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BU of 1wz9 by Molmil
The 2.1 A structure of a tumour suppressing serpin
Descriptor: Maspin precursor, SULFATE ION
Authors:Law, R.H, Irving, J.A, Buckle, A.M, Ruzyla, K, Buzza, M, Bashtannyk-Puhalovich, T.A, Beddoe, T.C, Kim, N, Worrall, D.M, Bottomley, S.P, Bird, P.I, Rossjohn, J, Whisstock, J.C.
Deposit date:2005-03-03
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
1XU8
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BU of 1xu8 by Molmil
The 2.8 A structure of a tumour suppressing serpin
Descriptor: Maspin, SULFATE ION
Authors:Irving, J.A, Law, R.H, Ruzyla, K, Bashtannyk-Puhalovich, T.A, Kim, N, Worrall, D.M, Rossjohn, J, Whisstock, J.C.
Deposit date:2004-10-25
Release date:2005-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The high resolution crystal structure of the human tumor suppressor maspin reveals a novel conformational switch in the G-helix.
J.Biol.Chem., 280, 2005
7FHT
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BU of 7fht by Molmil
Crystal structure of DYRK1A in complex with RD0448
Descriptor: (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T.
Deposit date:2021-07-30
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
7FHS
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BU of 7fhs by Molmil
Crystal structure of DYRK1A in complex with RD0392
Descriptor: (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL
Authors:Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T.
Deposit date:2021-07-30
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
7VVI
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BU of 7vvi by Molmil
OXA-58 crystal structure of acylated meropenem complex
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
Authors:Saino, H, Sugiyabu, T, Miyano, M.
Deposit date:2021-11-06
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:OXA-58 crystal structure of acylated meropenem complex
to be published
7PI6
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BU of 7pi6 by Molmil
Trypanosoma brucei ISG65 bound to human complement C3d
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ...
Authors:Cook, A.D, Higgins, M.K.
Deposit date:2021-08-19
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022
2RVF
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BU of 2rvf by Molmil
Solution NMR structure of Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain
Descriptor: Predicted protein
Authors:Kasai, T, Pawlak, J, Imamoto, A, Kigawa, T.
Deposit date:2015-09-24
Release date:2016-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A pre-metazoan origin of the CRK gene family and co-opted signaling network
Sci Rep, 6, 2016
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