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6MHR
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BU of 6mhr by Molmil
Structure of the human 4-1BB / Urelumab Fab complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-18
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6MI2
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BU of 6mi2 by Molmil
Structure of the human 4-1BB / Utomilumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-19
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
6V2F
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BU of 6v2f by Molmil
Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207
Descriptor: HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Authors:Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T.
Deposit date:2019-11-22
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
Descriptor: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Skene, R.J, Lane, W.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
5EGQ
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BU of 5egq by Molmil
Structure of tetrameric rat phenylalanine hydroxylase mutant R270K, residues 25-453
Descriptor: Phenylalanine-4-hydroxylase, SULFATE ION
Authors:Taylor, A.B, Khan, C.A, Fitzpatrick, P.F.
Deposit date:2015-10-27
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
4V3R
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BU of 4v3r by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: MAGNESIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
4V3O
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BU of 4v3o by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: ACETATE ION, CALCIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
4WTD
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BU of 4wtd by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH ADP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AUAAAUUU
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Fox III, D, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTF
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BU of 4wtf by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GS-639475, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU
Descriptor: 2'-C-methyluridine 5'-(trihydrogen diphosphate), CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Appleby, T.C, Mcgrath, M.E.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTJ
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BU of 4wtj by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AUCC, RNA PRIMER 5'-PGG, MN2+, AND ADP
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTM
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BU of 4wtm by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-UAGG, RNA PRIMER 5'-PCC, MN2+, AND UDP
Descriptor: CHLORIDE ION, MANGANESE (II) ION, RNA PRIMER CC, ...
Authors:Edwards, T.E, Appleby, T.C, Fox III, D.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WT9
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BU of 4wt9 by Molmil
APO CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH E86Q E87Q S15G C223H V321I AND DELTA8 MUTATIONS
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTA
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BU of 4wta by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH UDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU
Descriptor: CHLORIDE ION, MANGANESE (II) ION, RNA PRIMER TEMPLATE CAAAAUUU, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTC
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BU of 4wtc by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH CDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-AGAAAUUU
Descriptor: CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
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
4WTE
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BU of 4wte by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GDP, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-ACAAAUUU
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTG
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BU of 4wtg by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH SOFOSBUVIR DIPHOSPHATE GS-607596, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU
Descriptor: 2'-deoxy-2'-fluoro-2'-methyluridine 5'-(trihydrogen diphosphate), CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTI
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BU of 4wti by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-ACGG, RNA PRIMER 5'-PCC, MN2+, AND GDP
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
4WTK
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BU of 4wtk by Molmil
CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS IN COMPLEX WITH RNA TEMPLATE 5'-AGCC, RNA PRIMER 5'-PGG, MN2+, AND CDP
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Edwards, T.E, Appleby, T.C.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for RNA replication by the hepatitis C virus polymerase.
Science, 347, 2015
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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数据于2024-08-28公开中

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