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5ZDZ
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BU of 5zdz by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5ZE0
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BU of 5ze0 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+
Descriptor: 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
5ZE1
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BU of 5ze1 by Molmil
Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in 2mM Mn2+ for 10 min at 4'C
Descriptor: 1,2-ETHANEDIOL, DNA, HMGB1 A-B box, ...
Authors:Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W.
Deposit date:2018-02-25
Release date:2018-04-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
8H8Y
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BU of 8h8y by Molmil
Crystal structure of AbHheG from Acidimicrobiia bacterium
Descriptor: GLYCEROL, alpha/beta hydrolase
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-10-24
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
6KZQ
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BU of 6kzq by Molmil
structure of PTP-MEG2 and NSF-pY83 peptide complex
Descriptor: NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
6L03
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BU of 6l03 by Molmil
structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex
Descriptor: Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide
Authors:Xu, Y.F, Chen, X, Yu, X, Sun, J.P.
Deposit date:2019-09-25
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
8HQP
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BU of 8hqp by Molmil
Crystal structure of AbHheG mutant from Acidimicrobiia bacterium
Descriptor: AbHheG_m
Authors:Zhou, C.H, Chen, X, Han, X, Liu, W.D, Wu, Q.Q, Zhu, D.M, Ma, Y.H.
Deposit date:2022-12-13
Release date:2023-08-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Flipping the Substrate Creates a Highly Selective Halohydrin Dehalogenase for the Synthesis of Chiral 4-Aryl-2-oxazolidinones from Readily Available Epoxides
Acs Catalysis, 13, 2023
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKM
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BU of 7vkm by Molmil
Crystal structure of TrkA (G595R) kinase domain
Descriptor: Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7YHN
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BU of 7yhn by Molmil
ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X.
Deposit date:2022-07-14
Release date:2023-07-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
7W6V
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BU of 7w6v by Molmil
Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom
Descriptor: COBALT (II) ION, Putative copper oxidase
Authors:Yang, X, Wu, F, Wu, W, Chen, X, Fan, S, Yu, P, Mao, L.
Deposit date:2021-12-02
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A versatile artificial metalloenzyme scaffold enabling direct bioelectrocatalysis in solution.
Sci Adv, 8, 2022
7CN9
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BU of 7cn9 by Molmil
Cryo-EM structure of SARS-CoV-2 Spike ectodomain
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ho, M, Chang, Y, Wang, C, Wu, Y, Huang, H, Chen, T, Lo, J.M, Chen, X, Ma, C.
Deposit date:2020-07-30
Release date:2020-08-26
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:A Carbohydrate-Binding Protein from the Edible Lablab Beans Effectively Blocks the Infections of Influenza Viruses and SARS-CoV-2.
Cell Rep, 32, 2020
5ZHY
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BU of 5zhy by Molmil
Structural characterization of the HCoV-229E fusion core
Descriptor: Spike glycoprotein
Authors:Zhang, W, Zheng, Q, Yan, M, Chen, X, Yang, H, Zhou, W, Rao, Z.
Deposit date:2018-03-13
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.441 Å)
Cite:Structural characterization of the HCoV-229E fusion core.
Biochem. Biophys. Res. Commun., 497, 2018
1EYU
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BU of 1eyu by Molmil
HIGH RESOLUTION STRUCTURE OF THE PVUII ENDONCULEASE/COGNATE DNA COMPLEX AT PH 4.6
Descriptor: DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-09
Release date:2000-07-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
1F0O
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BU of 1f0o by Molmil
PVUII ENDONUCLEASE/COGNATE DNA COMPLEX (GLUTARALDEHYDE-CROSSLINKED CRYSTAL) AT PH 7.5 WITH TWO CALCIUM IONS AT EACH ACTIVE SITE
Descriptor: (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C-3'), CALCIUM ION, TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R, Cheng, X.
Deposit date:2000-05-16
Release date:2000-11-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000
3RJW
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BU of 3rjw by Molmil
Crystal structure of histone lysine methyltransferase g9a with an inhibitor
Descriptor: 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-15
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7YCN
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BU of 7ycn by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IY-2A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IY-2A Fab heavy chain, IY-2A Fab light chain, ...
Authors:Mohapatra, A, Chen, X.
Deposit date:2022-07-01
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
3RGA
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BU of 3rga by Molmil
Crystal structure of epoxide hydrolase for polyether lasalocid A biosynthesis
Descriptor: (4R,5S)-3-[(2R)-2-{(2S,2'R,4S,5S,5'R)-2,5'-diethyl-5'-[(1S)-1-hydroxyethyl]-4-methyloctahydro-2,2'-bifuran-5-yl}butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one, (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one, ACETATE ION, ...
Authors:Hotta, K, Mathews, I.I, Chen, X, Kim, C.-Y.
Deposit date:2011-04-08
Release date:2012-03-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Enzymatic catalysis of anti-Baldwin ring closure in polyether biosynthesis
Nature, 483, 2012
3S44
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BU of 3s44 by Molmil
Crystal Structure of Pasteurella multocida sialyltransferase M144D mutant with CMP bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CMP-3F(a)-Neu5Ac
Authors:Sugiarto, G, Lau, K, Li, Y, Lim, S, Ames, J.B, Le, D.-T, Fisher, A.J, Chen, X.
Deposit date:2011-05-18
Release date:2012-08-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Sialyltransferase Mutant with Decreased Donor Hydrolysis and Reduced Sialidase Activities for Directly Sialylating Lewis(x).
Acs Chem.Biol., 7, 2012
8HHG
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BU of 8hhg by Molmil
The bacterial divisome protein complex FtsB-FtsL-FtsQ
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-11-16
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023
3K72
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BU of 3k72 by Molmil
Structure of integrin alphaX beta2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A.
Deposit date:2009-10-11
Release date:2010-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
8HHH
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BU of 8hhh by Molmil
The bacterial divisome protein complex FtsB-FtsL-FtsQ
Descriptor: Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ
Authors:Nguyen, V.H.T, Chen, X.
Deposit date:2022-11-16
Release date:2023-04-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the heterotrimeric membrane protein complex FtsB-FtsL-FtsQ of the bacterial divisome.
Nat Commun, 14, 2023

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