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6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
1X8C
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BU of 1x8c by Molmil
Crystal structure of the SeMet-derivative copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Wang, D.C, Zhu, D.Y.
Deposit date:2004-08-18
Release date:2005-08-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: the first structure of a new sequence family of TIM barrels
Proteins, 58, 2005
1X7I
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BU of 1x7i by Molmil
Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C.
Deposit date:2004-08-14
Release date:2005-03-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels
Proteins, 58, 2004
4BLB
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BU of 4blb by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI1p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, ZINC FINGER PROTEIN GLI1, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BL9
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BU of 4bl9 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form I)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BLA
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BU of 4bla by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU) mutant lacking a regulatory subdomain (crystal form II)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG
Authors:Cherry, A.L, Finta, C, Karlstrom, M, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BLD
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BU of 4bld by Molmil
Crystal structure of a human Suppressor of fused (SUFU)-GLI3p complex
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, TRANSCRIPTIONAL ACTIVATOR GLI3, ...
Authors:Cherry, A.L, Finta, C, Karlstrom, M, De Sanctis, D, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
Descriptor: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
Deposit date:2013-05-02
Release date:2013-11-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4TMP
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BU of 4tmp by Molmil
Crystal structure of AF9 YEATS bound to H3K9ac peptide
Descriptor: 1,2-ETHANEDIOL, ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-ALY-SER-THR, Protein AF-9
Authors:Li, H, Li, Y, Wang, H, Ren, Y.
Deposit date:2014-06-02
Release date:2014-11-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AF9 YEATS Domain Links Histone Acetylation to DOT1L-Mediated H3K79 Methylation.
Cell, 159, 2014
3OSY
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BU of 3osy by Molmil
Human enterovirus 71 3C protease
Descriptor: 3C protease
Authors:Wang, J, Fan, T, Wang, M, Cui, S.
Deposit date:2010-09-10
Release date:2011-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9923 Å)
Cite:Crystal Structure of Human Enterovirus 71 3C Protease.
J.Mol.Biol., 408, 2011
3VWB
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BU of 3vwb by Molmil
Crystal structure of VirB core domain (Se-Met derivative) complexed with the cis-acting site (5-BRU modifications) upstream icsb promoter
Descriptor: DNA (26-MER), Virulence regulon transcriptional activator virB
Authors:Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S.
Deposit date:2012-08-21
Release date:2013-08-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.416 Å)
Cite:Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
3W2A
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BU of 3w2a by Molmil
Crystal structure of VirB core domain complexed with the cis-acting site upstream icsp promoter
Descriptor: DNA (31-mer), Virulence regulon transcriptional activator VirB
Authors:Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S.
Deposit date:2012-11-27
Release date:2013-09-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.775 Å)
Cite:Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
3W3C
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BU of 3w3c by Molmil
Crystal structure of VirB core domain complexed with the cis-acting site upstream icsb promoter
Descriptor: DNA (26-MER), Virulence regulon transcriptional activator VirB
Authors:Gao, X.P, Waltersperger, S, Wang, M.T, Cui, S.
Deposit date:2012-12-19
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:Structural insights into VirB-DNA complexes reveal mechanism of transcriptional activation of virulence genes
Nucleic Acids Res., 41, 2013
7F4G
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BU of 7f4g by Molmil
Structure of RPAP2-bound RNA polymerase II
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ...
Authors:Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y.
Deposit date:2021-06-18
Release date:2021-07-07
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex.
Cell Rep, 39, 2022
7D60
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BU of 7d60 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of rubidium red
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-28
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
7D65
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BU of 7d65 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of Ca2+
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-29
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
7D61
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BU of 7d61 by Molmil
Cryo-EM Structure of human CALHM5 in the presence of EDTA
Descriptor: 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5
Authors:Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S.
Deposit date:2020-09-28
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
5FPR
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BU of 5fpr by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site.
Descriptor: DNA LIGASE, PYRIMIDIN-2-AMINE, SULFATE ION
Authors:Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
Deposit date:2015-12-02
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPO
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BU of 5fpo by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site.
Descriptor: 1H-indazol-7-amine, DNA LIGASE
Authors:Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
Deposit date:2015-12-02
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
Authors:Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
Deposit date:2013-07-29
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
6KHR
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BU of 6khr by Molmil
Structure of glycinamide-RNase-transformylase T from Mycobacterium tuberculosis
Descriptor: Formate-dependent phosphoribosylglycinamide formyltransferase
Authors:Chen, C, Wang, J.
Deposit date:2019-07-16
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.786 Å)
Cite:Structural characterization of glycinamide-RNase-transformylase T fromMycobacterium tuberculosis.
Emerg Microbes Infect, 9, 2020
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