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4QZ0
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BU of 4qz0 by Molmil
yCP beta5-M45V mutant in complex with the epoxyketone inhibitor ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-27
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
7YHG
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BU of 7yhg by Molmil
Solution structure of S-mono-mannosylated S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHF
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BU of 7yhf by Molmil
Solution structure of S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHI
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BU of 7yhi by Molmil
Solution structure of O-di-mannosylated carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
4QUX
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BU of 4qux by Molmil
yCP beta5-A49T-mutant
Descriptor: MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QVW
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BU of 4qvw by Molmil
yCP beta5-A49S-mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
7YAZ
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BU of 7yaz by Molmil
Crystal structure of ZAK in complex with compound YH-186
Descriptor: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
Authors:Kong, L.L, Yun, C.H.
Deposit date:2022-06-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
3W2C
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BU of 3w2c by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-28
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding
To be Published
4ETR
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BU of 4etr by Molmil
X-ray structure of PA2169 from Pseudomonas aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G.
Deposit date:2012-04-24
Release date:2013-01-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
7YAW
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BU of 7yaw by Molmil
Crystal structure of ZAK in complex with compound YH-180
Descriptor: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
Authors:Kong, L.L, Yun, C.H.
Deposit date:2022-06-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
8SHE
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BU of 8she by Molmil
CCT-G beta 5 complex closed state 8
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ...
Authors:Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
Deposit date:2023-04-13
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
4EJ1
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BU of 4ej1 by Molmil
Binding of Nb113 camelid antibody fragment with the binary DHFR:folate complex
Descriptor: Dihydrofolate reductase, FOLIC ACID, Nb113 camelid antibody fragment, ...
Authors:Oyen, D, Srinivasan, V.
Deposit date:2012-04-06
Release date:2013-04-24
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanistic analysis of allosteric and non-allosteric effects arising from nanobody binding to two epitopes of the dihyrofolate reductase of Escherichia coli.
Biochim.Biophys.Acta, 1834, 2013
4QVP
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BU of 4qvp by Molmil
yCP beta5-M45T mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-15
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QWK
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BU of 4qwk by Molmil
yCP beta5-A49T-A50V-double mutant in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QZ1
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BU of 4qz1 by Molmil
yCP beta5-M45T mutant in complex with the epoxyketone inhibitor ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-27
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
5X4F
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BU of 5x4f by Molmil
Solution Structure of the N-terminal Domain of TDP-43
Descriptor: TAR DNA-binding protein 43
Authors:Jiang, L.-L, Xue, W, Hu, H.-Y.
Deposit date:2017-02-13
Release date:2017-08-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The N-terminal dimerization is required for TDP-43 splicing activity.
Sci Rep, 7, 2017
5XQ5
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BU of 5xq5 by Molmil
NMR structure of the domain 5 of the E. coli ribosomal protein S1
Descriptor: 30S ribosomal protein S1
Authors:Lu, Y, Lim, L.Z, Song, J.
Deposit date:2017-06-06
Release date:2018-06-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of the domain 5 of the E. coli ribosomal protein S1
To Be Published
4EXB
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BU of 4exb by Molmil
Putative aldo-keto reductase from Pseudomona aeruginosa
Descriptor: Putative uncharacterized protein
Authors:Schnell, R, Schneider, G, Sandalova, T.
Deposit date:2012-04-30
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4ES6
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BU of 4es6 by Molmil
Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution
Descriptor: CHLORIDE ION, Uroporphyrinogen-III synthase
Authors:Schnell, R, Schneider, G.
Deposit date:2012-04-22
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4QV4
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BU of 4qv4 by Molmil
yCP beta5-M45T mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QW6
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BU of 4qw6 by Molmil
yCP beta5-M45V mutant in complex with carfilzomib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-16
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
3V93
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BU of 3v93 by Molmil
unliganded structure of TcrPDEC1 catalytic domain
Descriptor: Cyclic nucleotide specific phosphodiesterase, MAGNESIUM ION, ZINC ION
Authors:Wang, H, Kunz, S, Chen, G, Seebeck, T, Wan, Y, Robinson, H, Martinelli, S, Ke, H.
Deposit date:2011-12-23
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors.
J.Biol.Chem., 287, 2012
8S32
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BU of 8s32 by Molmil
GroEL with bound GroTAC peptide
Descriptor: Chaperonin GroEL, GroTAC
Authors:Wroblewski, K, Izert-Nowakowska, M.A, Goral, T.K, Klimecka, M.M, Kmiecik, S, Gorna, M.W.
Deposit date:2024-02-19
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Depletion of essential GroEL protein in Escherichia coli using Clp-Interacting Peptidic Protein Erasers (CLIPPERs)
To Be Published
6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-06
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
4QVM
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BU of 4qvm by Molmil
yCP beta5-M45A mutant in complex with bortezomib
Descriptor: CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ...
Authors:Huber, E.M, Heinemeyer, W, Groll, M.
Deposit date:2014-07-15
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015

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数据于2024-10-09公开中

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