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8F5P
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BU of 8f5p by Molmil
Structure of Leishmania tarentolae IFT-A (state 2)
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ...
Authors:Zhou, H, Brown, A.
Deposit date:2022-11-14
Release date:2022-12-21
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
8F5O
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BU of 8f5o by Molmil
Structure of Leishmania tarentolae IFT-A (state 1)
Descriptor: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 122B, putative, ...
Authors:Zhou, H, Brown, A.
Deposit date:2022-11-14
Release date:2022-12-21
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of IFT-A polymerization into trains for ciliary transport.
Cell, 185, 2022
3VZD
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BU of 3vzd by Molmil
Crystal structure of Sphingosine Kinase 1 with inhibitor and ADP
Descriptor: 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Min, X, Walker, N.P, Wang, Z.
Deposit date:2012-10-11
Release date:2013-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
3VZB
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BU of 3vzb by Molmil
Crystal structure of Sphingosine Kinase 1
Descriptor: (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Min, X, Walker, N.P, Wang, Z.
Deposit date:2012-10-10
Release date:2013-05-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
3VZC
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BU of 3vzc by Molmil
Crystal structure of Sphingosine Kinase 1 with inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol, Sphingosine kinase 1
Authors:Min, X, Walker, N.P, Wang, Z.
Deposit date:2012-10-11
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
1RDF
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BU of 1rdf by Molmil
G50P mutant of phosphonoacetaldehyde hydrolase in complex with substrate analogue vinyl sulfonate
Descriptor: ETHANESULFONIC ACID, MAGNESIUM ION, phosphonoacetaldehyde hydrolase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-11-05
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the substrate specificity loop of the HAD superfamily cap domain
Biochemistry, 43, 2004
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-05-06
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
2FUC
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BU of 2fuc by Molmil
Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
2FUE
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BU of 2fue by Molmil
Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
Descriptor: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
6O2L
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BU of 6o2l by Molmil
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3')
Authors:Lin, C, Liu, W, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
2LBY
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BU of 2lby by Molmil
G-quadruplex structure formed at the 5'-end of NHEIII_1 element in human c-MYC promoter
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*AP*GP*GP*GP*TP*AP*GP*GP*GP*AP*GP*GP*GP*T)-3')
Authors:Mathad, R, Hatzakis, E, Yang, D.
Deposit date:2011-04-07
Release date:2012-02-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:c-MYC promoter G-quadruplex formed at the 5'-end of NHE III1 element: insights into biological relevance and parallel-stranded G-quadruplex stability.
Nucleic Acids Res., 39, 2011
6J1U
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BU of 6j1u by Molmil
influenza virus nucleoprotein with a specific inhibitor
Descriptor: Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Authors:Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
Deposit date:2018-12-29
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
1ZVA
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BU of 1zva by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: E2 glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZVB
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BU of 1zvb by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: E2 glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV8
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BU of 1zv8 by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: ACETATE ION, CACODYLATE ION, E2 glycoprotein, ...
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV7
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BU of 1zv7 by Molmil
A structure-based mechanism of SARS virus membrane fusion
Descriptor: CHLORIDE ION, spike glycoprotein
Authors:Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
6JJ0
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BU of 6jj0 by Molmil
NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4
Authors:Liu, W, Lin, C, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
Authors:Du, X.X, Lei, X.G.
Deposit date:2019-03-31
Release date:2020-04-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
8H7Z
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BU of 8h7z by Molmil
Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
Descriptor: BA7535 fab, Spike glycoprotein
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-21
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7L
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BU of 8h7l by Molmil
Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
Authors:Liu, Z, Yan, A, Gao, Y.
Deposit date:2022-10-20
Release date:2023-08-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
1RYG
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BU of 1ryg by Molmil
Three dimensional solution structure of the R29A MUTANT of sodium channels inhibitor HAINANTOXIN-IV by 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
1RYV
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BU of 1ryv by Molmil
Three dimensional solution structure of the K27A MUTANT of sodium channels inhibitor HAINANTOXIN-IV BY 2D 1H-NMR
Descriptor: Hainantoxin-IV
Authors:Li, D, Lu, S, Gu, X, Liang, S.
Deposit date:2003-12-22
Release date:2004-01-13
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
J.Biol.Chem., 279, 2004
8ITE
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BU of 8ite by Molmil
Crystal structure of pE301R from African swine fever virus
Descriptor: Uncharacterized protein E301R
Authors:Zhang, H, Li, Y.H.
Deposit date:2023-03-22
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The E301R protein of African swine fever virus functions as a sliding clamp involved in viral genome replication.
Mbio, 14, 2023
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021

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