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9D88
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Gag CA-SP1 immature lattice from enveloped and perforated virus like particles
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-08-19
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
9DWD
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BU of 9dwd by Molmil
Gag CA-SP1 immature lattice bound with Lenacapavir from enveloped virus like particles (T8I)
分子名称: Gag, INOSITOL HEXAKISPHOSPHATE, 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
著者Wu, C, Meuser, M.E, Xiong, Y.
登録日2024-10-09
公開日2024-10-30
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural insights into inhibitor mechanisms on immature HIV-1 Gag lattice revealed by high-resolution in situ single-particle cryo-EM.
Biorxiv, 2024
8ROZ
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BU of 8roz by Molmil
Cryo-EM structure of CDK2-cyclin A in complex with CDC25A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, M-phase inducer phosphatase 1
著者Rowland, R.J, Noble, M.E.M, Endicott, J.A.
登録日2024-01-12
公開日2024-05-29
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structure of the CDK2-cyclin A-CDC25A complex.
Nat Commun, 15, 2024
3OUN
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BU of 3oun by Molmil
Crystal structure of the FhaA FHA domain complexed with the intracellular domain of Rv3910
分子名称: MANGANESE (II) ION, PROBABLE CONSERVED TRANSMEMBRANE PROTEIN, Putative uncharacterized protein TB39.8
著者Gee, C.L, Alber, T.
登録日2010-09-15
公開日2012-02-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献A phosphorylated pseudokinase complex controls cell wall synthesis in mycobacteria
Sci.Signal., 5, 2012
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
分子名称: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
著者Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
登録日2023-05-23
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7JVX
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BU of 7jvx by Molmil
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-24
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
8TCF
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Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
分子名称: 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, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7K7Q
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
分子名称: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2020-08-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7K7O
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BU of 7k7o by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7JUL
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BU of 7jul by Molmil
Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG)
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-20
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JTX
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BU of 7jtx by Molmil
the structural basis of PTEN regulation by multi-site phosphorylation
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Park, E, Dempsey, D.R, Cole, P.
登録日2020-08-18
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JPM
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BU of 7jpm by Molmil
The solution structure of omega-theraphotoxin-Pm1b isolated from King Baboon spider
分子名称: Omega-theraphotoxin-Pm1b
著者Chin, Y.K.-Y, Ziegman, R, Alewood, P.F.
登録日2020-08-09
公開日2021-09-08
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Multitarget nociceptor sensitization by a promiscuous peptide from the venom of the King Baboon spider.
Proc.Natl.Acad.Sci.USA, 119, 2022
7JWG
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BU of 7jwg by Molmil
OspA-Fab 221-7 complex structure
分子名称: Antibody 221-7 Fab heavy chain, Antibody 221-7 Fab light chain, Outer surface protein A
著者Rudolph, M.J.
登録日2020-08-25
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody.
J.Clin.Invest., 131, 2021
7KD4
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BU of 7kd4 by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P21.
分子名称: Maltodextrin-binding protein and Phosphoprotein fusion protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Webby, M.N, Kingston, R.L.
登録日2020-10-08
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.312 Å)
主引用文献Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
3RK4
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BU of 3rk4 by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
登録日2011-04-17
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
7L5S
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BU of 7l5s by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 5.5
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM ATOM, OXYGEN ATOM, ...
著者Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
登録日2020-12-22
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
7L5I
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BU of 7l5i by Molmil
Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Struwe, M.A, Luo, Z, Kappler, U, Kobe, B.
登録日2020-12-22
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes.
J.Biol.Chem., 296, 2021
8SMQ
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BU of 8smq by Molmil
Crystal Structure of the N-terminal Domain of the Cryptic Surface Protein (CD630_25440) from Clostridium difficile.
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Wawrzak, Z, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2023-04-26
公開日2023-05-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein target highlights in CASP15: Analysis of models by structure providers.
Proteins, 91, 2023
7L0Z
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Spinach variant bound to DFHBI-1T
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, PHOSPHATE ION, ...
著者Truong, L, Trachman, R.J, Ferre-D'Amare, A.R.
登録日2020-12-13
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
1FKL
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BU of 1fkl by Molmil
ATOMIC STRUCTURE OF FKBP12-RAPAYMYCIN, AN IMMUNOPHILIN-IMMUNOSUPPRESSANT COMPLEX
分子名称: FK506 BINDING PROTEIN, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
1FKJ
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ATOMIC STRUCTURE OF FKBP12-FK506, AN IMMUNOPHILIN IMMUNOSUPPRESSANT COMPLEX
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506 BINDING PROTEIN
著者Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A.
登録日1995-08-18
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
8TY1
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BU of 8ty1 by Molmil
Cryo-EM structure of coagulation factor VIII bound to NB2E9
分子名称: Coagulation factor VIII, NB2E9 heavy chain, NB2E9 light chain, ...
著者Childers, K.C, Spiegel, P.C.
登録日2023-08-24
公開日2023-09-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural basis for inhibition of coagulation factor VIII reveals a shared antigenic hotspot on the C1 domain.
J.Thromb.Haemost., 22, 2024
1FRG
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BU of 1frg by Molmil
CRYSTAL STRUCTURE, SEQUENCE, AND EPITOPE MAPPING OF A PEPTIDE COMPLEX OF AN ANTI-INFLUENZA HA PEPTIDE ANTIBODY FAB 26(SLASH)9: FINE-TUNING ANTIBODY SPECIFICITY
分子名称: IGG2A 26/9 FAB (HEAVY CHAIN), IGG2A 26/9 FAB (LIGHT CHAIN), INFLUENZA HEMAGGLUTININ HA1 (STRAIN X47) (RESIDUES 101 - 108)
著者Churchill, M.E.A, Wilson, I.A.
登録日1994-01-17
公開日1994-05-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a peptide complex of anti-influenza peptide antibody Fab 26/9. Comparison of two different antibodies bound to the same peptide antigen.
J.Mol.Biol., 241, 1994

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