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4D8N
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BU of 4d8n by Molmil
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
Descriptor: 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, Kallikrein-6
Authors:Chen, X, Xia, T, Wang, R.
Deposit date:2012-01-11
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Bioorg.Med.Chem.Lett., 22, 2012
7XMN
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BU of 7xmn by Molmil
Structure of SARS-CoV-2 ORF8
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ...
Authors:Chen, X, Xu, W.
Deposit date:2022-04-26
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation.
Microbiol Spectr, 11, 2023
7SU3
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BU of 7su3 by Molmil
CryoEM structure of DNA-PK complex VII
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), ...
Authors:Chen, X, Liu, L, Gellert, M, Yang, W.
Deposit date:2021-11-16
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
7SUD
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BU of 7sud by Molmil
CryoEM structure of DNA-PK complex VIII
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ...
Authors:Chen, X, Liu, L, Gellert, M, Yang, W.
Deposit date:2021-11-16
Release date:2022-01-12
Last modified:2022-01-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
6U19
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BU of 6u19 by Molmil
Solution Structure of the RAZUL domain from 26S proteasome subunit hRpn10/S5a complexed with the AZUL domain from E3 ligase E6AP/UBE3A
Descriptor: 26S proteasome non-ATPase regulatory subunit 4, Ubiquitin-protein ligase E3A, ZINC ION
Authors:Chen, X, Walters, K.J.
Deposit date:2019-08-15
Release date:2020-03-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of E3 ligase E6AP with a proteasome-binding site provided by substrate receptor hRpn10.
Nat Commun, 11, 2020
8KFD
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BU of 8kfd by Molmil
Ferritin drug carrier(FDC) for encapsulated platinum (IV) prodrug for esophageal squamous cell carcinoma targeted therapy
Descriptor: CALCIUM ION, CHLORIDE ION, Ferritin heavy chain, ...
Authors:Chen, X.
Deposit date:2023-08-15
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ferritin drug carrier(FDC) for encapsulated platinum (IV) prodrug for esophageal squamous cell carcinoma targeted therapy
To Be Published
7WUH
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BU of 7wuh by Molmil
SARS-CoV-2 Spike in complex with Fab of m31A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-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, ...
Authors:Chen, X, Wu, Y.-M.
Deposit date:2022-02-08
Release date:2022-03-23
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Vaccination with SARS-CoV-2 spike protein lacking glycan shields elicits enhanced protective responses in animal models.
Sci Transl Med, 14, 2022
4TTQ
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BU of 4ttq by Molmil
Crystal structure of Legionella pneumophila dephospho-CoA kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dephospho-CoA kinase, PHOSPHATE ION
Authors:Chen, X, Ge, H.
Deposit date:2014-06-22
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Legionella pneumophila dephospho-CoA kinase reveals a non-canonical conformation of P-loop.
J.Struct.Biol., 188, 2014
1MHT
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BU of 1mht by Molmil
COVALENT TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE, DNA AND S-ADENOSYL-L-HOMOCYSTEINE
Descriptor: DNA (5'-D(*TP*GP*AP*TP*AP*GP*(C36)P*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*AP*GP*(C36)P*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE), ...
Authors:Cheng, X.
Deposit date:1994-12-08
Release date:1995-06-03
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:HhaI methyltransferase flips its target base out of the DNA helix.
Cell(Cambridge,Mass.), 76, 1994
7JKS
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BU of 7jks by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
7JKT
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BU of 7jkt by Molmil
Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ...
Authors:Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R.
Deposit date:2020-07-28
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth.
Immunity, 54, 2021
8GRH
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BU of 8grh by Molmil
Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3 in complex with CIT
Descriptor: CITRIC ACID, Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, ...
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-01
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
8GS5
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BU of 8gs5 by Molmil
Crystal structure of a constitutively active mutant of human IDH3 holoenzyme in apo form
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isocitrate dehydrogenase [NAD] subunit gamma, ...
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-04
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.486 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
8GRU
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BU of 8gru by Molmil
Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3 in complex with ICT, NAD and Ca
Descriptor: CALCIUM ION, Human IDH3 alpha subunit, ISOCITRIC ACID, ...
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-02
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
8GRG
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BU of 8grg by Molmil
Crystal structure of a constitutively active mutant of the alpha gamma heterodimer of human IDH3
Descriptor: Human IDH3 alpha subunit, Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-01
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
8GRB
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BU of 8grb by Molmil
Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human IDH3
Descriptor: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, Isoform A of Isocitrate dehydrogenase [NAD] subunit beta
Authors:Sun, P, Chen, X, Ding, J.
Deposit date:2022-09-01
Release date:2022-12-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Structures of a constitutively active mutant of human IDH3 reveal new insights into the mechanisms of allosteric activation and the catalytic reaction.
J.Biol.Chem., 298, 2022
6JPE
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BU of 6jpe by Molmil
Crystal structure of FGFR4 kinase domain with irreversible inhibitor 1
Descriptor: Fibroblast growth factor receptor 4, N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide, SULFATE ION
Authors:Chen, X, Dai, S, Zhou, Z, Chen, Y.
Deposit date:2019-03-26
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Development of a Potent and Specific FGFR4 Inhibitor for the Treatment of Hepatocellular Carcinoma.
J.Med.Chem., 63, 2020
2N3T
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BU of 2n3t by Molmil
Solution structure of the Rpn1 substrate receptor site toroid 1 (T1)
Descriptor: 26S proteasome regulatory subunit RPN1
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3W
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BU of 2n3w by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the contracted binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3U
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BU of 2n3u by Molmil
Solution structure of the Rpn1 T1 site engaging two monoubiquitin molecules
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
2N3V
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BU of 2n3v by Molmil
Solution structure of the Rpn1 T1 site with K48-linked diubiquitin in the extended binding mode
Descriptor: 26S proteasome regulatory subunit RPN1, Ubiquitin-60S ribosomal protein L40
Authors:Chen, X, Walters, K.J.
Deposit date:2015-06-10
Release date:2016-02-24
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rpn1 provides adjacent receptor sites for substrate binding and deubiquitination by the proteasome.
Science, 351, 2016
6CIJ
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BU of 6cij by Molmil
Cryo-EM structure of mouse RAG1/2 HFC complex containing partial HMGB1 linker(3.9 A)
Descriptor: CALCIUM ION, DNA (30-MER), DNA (41-MER), ...
Authors:Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W.
Deposit date:2018-02-24
Release date:2018-04-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
6CG0
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BU of 6cg0 by Molmil
Cryo-EM structure of mouse RAG1/2 HFC complex (3.17 A)
Descriptor: CALCIUM ION, DNA (30-MER), DNA (41-MER), ...
Authors:Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W.
Deposit date:2018-02-19
Release date:2018-04-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
6IHI
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BU of 6ihi by Molmil
Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O
Descriptor: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2018-09-30
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019
6IHH
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BU of 6ihh by Molmil
Crystal structure of RasADH F12 from Ralstonia.sp in complex with NADPH and A6O
Descriptor: (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one, Alclohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, H.L, Chen, X, Liu, W.D, Wu, Q.Q, Zhu, D.M.
Deposit date:2018-09-30
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Nat Catal, 2, 2019

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