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6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
Descriptor: 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, Heavy chain, ...
Authors:Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
Deposit date:2019-01-26
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
Descriptor: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
Authors:Chen, G, McKeever, B.M.
Deposit date:2016-07-21
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
8SX3
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BU of 8sx3 by Molmil
10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10
Descriptor: 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ...
Authors:Huang, J, Ozorowski, G, Ward, A.B.
Deposit date:2023-05-19
Release date:2024-05-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
6JIS
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BU of 6jis by Molmil
Crystal structure of the histidine racemase CntK in cobalt and nickel transporter system of staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Luo, S, Ju, Y, Zhou, H.
Deposit date:2019-02-23
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of CntK, the cofactor-independent histidine racemase in staphylopine-mediated metal acquisition of Staphylococcus aureus.
Int.J.Biol.Macromol., 135, 2019
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Yan, M, Zhang, H.
Deposit date:2022-11-08
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
8HIV
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BU of 8hiv by Molmil
The structure of apo-SoBcmB with Fe(II) and AKG
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, Fe/2OG dependent dioxygenase
Authors:Wu, L, Zhou, J.H.
Deposit date:2022-11-22
Release date:2023-07-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2.2000308 Å)
Cite:Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
8U03
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BU of 8u03 by Molmil
Crystal structure of non-glycosylated 10E8-GT10.1 scaffold in complex with a human 10E8 NGS precursor (10E8-NGS-03)
Descriptor: 10E8-GT10.1 epitope scaffold, 10E8-NGS-03 Fab Light Chain, 10E8-NGS-03 Fab heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZN
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BU of 8tzn by Molmil
Crystal structure of 10E8-GT10.2 HIV-1 MPER scaffold in complex with a non-human primate W3-01 Fab
Descriptor: 10E8-GT10.2 MPER scaffold, W3-01 Fab Heavy Chain, W3-01 Fab Light Chain
Authors:Lee, C.C.D, Wilson, I.A.
Deposit date:2023-08-27
Release date:2024-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZW
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BU of 8tzw by Molmil
Crystal structure of 10E8-GT4 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT4 epitope scaffold, 10E8-IGL1 Fab Light Chain, 10E8-IGL1 Fab heavy chain
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U08
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BU of 8u08 by Molmil
Crystal structure of 10E8-GT11 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT11 epitope scaffold, 10E8-IGL1 heavy chain, 10E8-IGL1 light chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
Descriptor: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
Authors:Cho, S.Y, Wilson, I.A.
Deposit date:2023-11-22
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
6L56
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BU of 6l56 by Molmil
Fe(II) loaded Tegillarca granosa ferritin
Descriptor: FE (II) ION, FE (III) ION, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85300577 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6LCG
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BU of 6lcg by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: DI(HYDROXYETHYL)ETHER, N-carbamoyl-D-amino-acid hydrolase
Authors:Liu, Y.F, Ni, Y, Xu, G.C, Dai, W.
Deposit date:2019-11-18
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
3SAJ
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BU of 3saj by Molmil
Crystal Structure of glutamate receptor GluA1 Amino Terminal Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 1, ...
Authors:Jin, R, Zong, Y, Yao, G, Gu, S.
Deposit date:2011-06-02
Release date:2011-06-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the glutamate receptor GluA1 N-terminal domain.
Biochem.J., 438, 2011
6LEI
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BU of 6lei by Molmil
Structure of D-carbamoylase from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C.
Deposit date:2019-11-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6L55
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BU of 6l55 by Molmil
Recombinant Tegillarca granosa ferritin
Descriptor: FE (III) ION, FORMIC ACID, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78304863 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6KZY
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BU of 6kzy by Molmil
Cu(II) loaded Tegillarca granosa ferritin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-09-25
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.30057073 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
4HAC
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BU of 4hac by Molmil
Crystal Structure of the Mevalonate Kinase from an Archaeon Methanosarcina mazei
Descriptor: MAGNESIUM ION, Mevalonate kinase
Authors:Zhuang, N, Lee, K.H.
Deposit date:2012-09-26
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei.
Acta Crystallogr.,Sect.F, 68, 2012
6L58
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BU of 6l58 by Molmil
Cu(II) loaded Tegillarca granosa M-ferritin soaked with Fe(II)
Descriptor: COPPER (II) ION, Ferritin
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.90270972 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6LE2
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BU of 6le2 by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C, Dai, W.
Deposit date:2019-11-23
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LED
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BU of 6led by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
Descriptor: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
Authors:Ni, Y, Liu, Y.F, Xu, G.C.
Deposit date:2019-11-25
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022

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數據於2024-10-16公開中

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