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6L13
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BU of 6l13 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L14
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BU of 6l14 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
2GIZ
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BU of 2giz by Molmil
Structural and functional analysis of Natrin, a member of crisp-3 family blocks a variety of ion channels
Descriptor: Natrin-1
Authors:Jiang, T, Wang, F, Li, H, Yin, C, Zhou, Y, Shu, Y, Qi, Z, Lin, Z.
Deposit date:2006-03-30
Release date:2006-11-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and functional analysis of natrin, a venom protein that targets various ion channels
Biochem.Biophys.Res.Commun., 351, 2006
3VTR
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BU of 3vtr by Molmil
Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 E328A complexed with TMG-chitotriomycin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase
Authors:Liu, T, Zhou, Y, Chen, L, Chen, W, Liu, L, Shen, X, Yang, Q.
Deposit date:2012-06-02
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into cellulolytic and chitinolytic enzymes revealing crucial residues of insect beta-N-acetyl-D-hexosaminidase
Plos One, 7, 2012
3W4R
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BU of 3w4r by Molmil
Crystal structure of an insect chitinase from the Asian corn borer, Ostrinia furnacalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Chen, L, Liu, T, Zhou, Y, Shen, X, Yang, Q.
Deposit date:2013-01-10
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting
Acta Crystallogr.,Sect.D, 70, 2014
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase
Authors:Chen, L, Zhou, Y, Chen, L, Yang, Q.
Deposit date:2013-11-16
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
3WL0
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BU of 3wl0 by Molmil
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain E148A mutant in complex with a(GlcNAc)2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
Deposit date:2013-11-05
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
3WKZ
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BU of 3wkz by Molmil
Crystal Structure of the Ostrinia furnacalis Group I Chitinase catalytic domain E148Q mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase
Authors:Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
Deposit date:2013-11-05
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
3V3M
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BU of 3v3m by Molmil
Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
Authors:Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R.
Deposit date:2011-12-13
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease.
J.Med.Chem., 56, 2013
3WL1
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BU of 3wl1 by Molmil
Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex with reaction products (GlcNAc)2,3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, L, Liu, T, Zhou, Y, Chen, Q, Shen, X, Yang, Q.
Deposit date:2013-11-05
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Structural characteristics of an insect group I chitinase, an enzyme indispensable to moulting.
Acta Crystallogr.,Sect.D, 70, 2014
3WMB
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BU of 3wmb by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1
Descriptor: 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
Authors:Liu, T, Zhou, Y, Chen, L, Yang, Q.
Deposit date:2013-11-16
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
6K2U
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BU of 6k2u by Molmil
Crystal structure of Thr66 ADP-ribosylated ubiquitin
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, Polyubiquitin-C, ...
Authors:Wang, X, Zhou, Y, Zhu, Y.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Threonine ADP-Ribosylation of Ubiquitin by a Bacterial Effector Family Blocks Host Ubiquitination.
Mol.Cell, 78, 2020
1CXV
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BU of 1cxv by Molmil
STRUCTURE OF RECOMBINANT MOUSE COLLAGENASE-3 (MMP-13)
Descriptor: 2-{4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-TETRAHYDRO-PYRAN-4-YL}-N-HYDROXY-ACETAMIDE, CALCIUM ION, PROTEIN (COLLAGENASE-3), ...
Authors:Botos, I, Meyer, E, Swanson, S.M, Lemaitre, V, Eeckhout, Y, Meyer, E.F.
Deposit date:1999-08-30
Release date:2000-08-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of recombinant mouse collagenase-3 (MMP-13).
J.Mol.Biol., 292, 1999
1C1J
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BU of 1c1j by Molmil
STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION
Descriptor: BASIC PHOSPHOLIPASE A2, CADMIUM ION, octyl beta-D-glucopyranoside
Authors:Zhang, H.-l, Zhang, Y.-q, Song, S.-y, Zhou, Y, Lin, Z.-j.
Deposit date:1999-07-22
Release date:2002-07-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Cadmium-substituted Phospholipase A2 from Agkistrodon halys Pallas at 2.8 Angstroms Resolution
Protein Pept.Lett., 6, 1999
2DWD
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BU of 2dwd by Molmil
crystal structure of KcsA-FAB-TBA complex in Tl+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ...
Authors:Yohannan, S, Zhou, Y.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel
J.Mol.Biol., 366, 2007
2DWE
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BU of 2dwe by Molmil
Crystal structure of KcsA-FAB-TBA complex in Rb+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ...
Authors:Yohannan, S, Zhou, Y.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel
J.Mol.Biol., 366, 2007
7W0V
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BU of 7w0v by Molmil
C4'-SCF3-DT modifeid DNA-DNA duplex
Descriptor: DNA (5'-D(*CP*CP*AP*TP*(DSW)P*AP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3')
Authors:Li, Q, Trajkovski, M, Fan, C, Chen, J, Zhou, Y, Lu, K, Li, H, Su, X, Xi, Z, Plavec, J, Zhou, C.
Deposit date:2021-11-18
Release date:2022-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:4'-SCF 3 -Labeling Constitutes a Sensitive 19 F NMR Probe for Characterization of Interactions in the Minor Groove of DNA.
Angew.Chem.Int.Ed.Engl., 61, 2022
5Z34
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BU of 5z34 by Molmil
The structure of a chitin deacetylase from Bombyx mori provide the first insight into insect chitin deacetylation mechanism
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin deacetylase, ZINC ION
Authors:Liu, L, Zhou, Y, Yang, Q.
Deposit date:2018-01-05
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:The structure of a chitin deacetylase from Bombyx mori provide the first insight into insect chitin deacetylation mechanism
To Be Published
5ZUT
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BU of 5zut by Molmil
Crystal Structure of Yeast PCNA in Complex with N24 Peptide
Descriptor: N24, Proliferating cell nuclear antigen
Authors:Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D.
Deposit date:2018-05-08
Release date:2018-05-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal Structure of Yeast PCNA in Complex with N24 Peptide
To Be Published
7XSV
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BU of 7xsv by Molmil
Crystal Structures of PIM1 in Complex with Macrocyclic Compound H3
Descriptor: 8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene, Serine/threonine-protein kinase pim-1
Authors:Shen, C, Xie, Y, Ren, X, Zhou, Y, Niu, H.
Deposit date:2022-05-15
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Design, synthesis, and bioactivity evaluation of macrocyclic benzo[b]pyrido[4,3-e][1,4]oxazine derivatives as novel Pim-1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 72, 2022
2DGN
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BU of 2dgn by Molmil
Mouse Muscle Adenylosuccinate Synthetase partially ligated complex with GTP, 2'-deoxy-IMP
Descriptor: 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE, Adenylosuccinate synthetase isozyme 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Iancu, C.V, Zhou, Y, Borza, T, Fromm, H.J, Honzatko, R.B.
Deposit date:2006-03-15
Release date:2006-09-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cavitation as a mechanism of substrate discrimination by adenylosuccinate synthetases.
Biochemistry, 45, 2006
7CBL
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BU of 7cbl by Molmil
Cryo-EM structure of the flagellar LP ring from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG7
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BU of 7cg7 by Molmil
Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGB
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BU of 7cgb by Molmil
Cryo-EM structure of the flagellar hook from Salmonella
Descriptor: Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGO
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BU of 7cgo by Molmil
Cryo-EM structure of the flagellar motor-hook complex from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021

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数据于2024-07-24公开中

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