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7YVO
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BU of 7yvo by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVF
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BU of 7yvf by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab
Descriptor: Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVE
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BU of 7yve by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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BU of 7yvh by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
Descriptor: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVP
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BU of 7yvp by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
2FRH
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BU of 2frh by Molmil
Crystal Structure of Sara, A Transcription Regulator From Staphylococcus Aureus
Descriptor: CALCIUM ION, Staphylococcal accessory regulator A
Authors:Liu, Y, Manna, A.C, Ingavale, S, Cheung, A.L, Zhang, G.
Deposit date:2006-01-19
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FNP
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BU of 2fnp by Molmil
Crystal structure of SarA
Descriptor: Staphylococcal accessory regulator A
Authors:Liu, Y, Manna, A.C, Pan, C.H, Cheung, A.L, Zhang, G.
Deposit date:2006-01-11
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5X8I
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BU of 5x8i by Molmil
Crystal structure of human CLK1 in complex with compound 25
Descriptor: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
Authors:Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
Deposit date:2017-03-02
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
4N4X
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BU of 4n4x by Molmil
Crystal Structure of the MBP fused human SPLUNC1 (native form)
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Maltose-binding periplasmic/Palate lung and nasal epithelium clone fusion protein
Authors:Ning, F, Wang, C, Niu, L, Chu, H.W, Zhang, G.
Deposit date:2013-10-08
Release date:2014-09-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Lipid ligands of human SPLUNC1
To be Published
2W7X
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BU of 2w7x by Molmil
Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ...
Authors:Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y.
Deposit date:2009-01-06
Release date:2009-09-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
6LM2
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BU of 6lm2 by Molmil
Crystal structure of Zinc binding protein ZinT from E. coli
Descriptor: Metal-binding protein ZinT, ZINC ION
Authors:Xiang, L, Zhang, G, Zhou, J.
Deposit date:2019-12-24
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.130084 Å)
Cite:Crystal structure of Zinc binding protein ZinT from E. coli
To Be Published
6LPS
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BU of 6lps by Molmil
Crystal structure of family 10 xylanase from Bacillus halodurans
Descriptor: Beta-xylanase, MAGNESIUM ION
Authors:Xiang, L, Zhang, G, Zhou, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21357155 Å)
Cite:Crystal structure of family 10 xylanase from Bacillus halodurans
To Be Published
2YIQ
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BU of 2yiq by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322
Descriptor: (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
Deposit date:2011-05-16
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
2YIT
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BU of 2yit by Molmil
Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor
Descriptor: N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
Deposit date:2011-05-16
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
2YIR
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BU of 2yir by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352
Descriptor: (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
Deposit date:2011-05-16
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
1RQL
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BU of 1rql by Molmil
Crystal Structure of Phosponoacetaldehyde Hydrolase Complexed with Magnesium and the Inhibitor Vinyl Sulfonate
Descriptor: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase, VINYLSULPHONIC ACID
Authors:Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
2YCQ
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BU of 2ycq by Molmil
Crystal structure of checkpoint kinase 2 in complex with inhibitor PV1115
Descriptor: N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
Deposit date:2011-03-16
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
2YCR
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BU of 2ycr by Molmil
Crystal structure of checkpoint kinase 2 in complex with inhibitor PV976
Descriptor: 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
Deposit date:2011-03-16
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
1RQN
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BU of 1rqn by Molmil
Phosphonoacetaldehyde hydrolase complexed with magnesium
Descriptor: MAGNESIUM ION, Phosphonoacetaldehyde Hydrolase
Authors:Morais, M.C, Zhang, G, Zhang, W, Olsen, D.B, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-25
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
2YCF
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BU of 2ycf by Molmil
Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531
Descriptor: (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ...
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
Deposit date:2011-03-14
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
2YCS
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BU of 2ycs by Molmil
Crystal structure of checkpoint kinase 2 in complex with PV788
Descriptor: N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
Deposit date:2011-03-16
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
2AMN
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BU of 2amn by Molmil
Solution structure of Fowlicidin-1, a novel Cathelicidin antimicrobial peptide from chicken
Descriptor: cathelicidin
Authors:Xiao, Y, Dai, H, Bommineni, Y.R, Prakash, O, Zhang, G.
Deposit date:2005-08-09
Release date:2006-07-18
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure-activity relationships of fowlicidin-1, a cathelicidin antimicrobial peptide in chicken.
Febs J., 273, 2006
7U13
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BU of 7u13 by Molmil
TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
7U15
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BU of 7u15 by Molmil
TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022

221051

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