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8TDU
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BU of 8tdu by Molmil
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha
分子名称: N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J.
登録日2023-07-05
公開日2023-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Cancer Discov, 13, 2023
6O0A
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BU of 6o0a by Molmil
Crystal structure of flavohemoglobin from Malassezia yamatoensis with bound FAD and heme determined by iron SAD phasing
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-15
公開日2019-03-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HGT in the human and skin commensal Malassezia : A bacterially derived flavohemoglobin is required for NO resistance and host interaction.
Proc.Natl.Acad.Sci.USA, 117, 2020
8I2Z
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BU of 8i2z by Molmil
Cryo-EM structure of the zeaxanthin-bound kin4B8
分子名称: RETINAL, Xanthorhodopsin, Zeaxanthin
著者Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
登録日2023-01-15
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
分子名称: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Cho, S.Y, Wilson, I.A.
登録日2023-11-22
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
2WXD
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BU of 2wxd by Molmil
A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE
分子名称: 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Besle, A, Burmeister, W.P.
登録日2009-11-09
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase
Acta Crystallogr.,Sect.F, 66, 2010
1KIU
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BU of 1kiu by Molmil
FimH adhesin Q133N mutant-FimC chaperone complex with methyl-alpha-D-mannose
分子名称: CHAPERONE PROTEIN FimC, FimH PROTEIN, methyl alpha-D-mannopyranoside
著者Hung, C.S, Bouckaert, J.
登録日2001-12-03
公開日2002-06-05
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection.
Mol.Microbiol., 44, 2002
8CZI
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BU of 8czi by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with extended HR2
分子名称: Scaffolded Spike protein S2' HR1, Spike protein S2' HR2
著者Yang, K, Brunger, A.T.
登録日2022-05-24
公開日2022-09-07
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Nanomolar inhibition of SARS-CoV-2 infection by an unmodified peptide targeting the prehairpin intermediate of the spike protein.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TDY
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BU of 7tdy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration
分子名称: FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
著者Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D.
登録日2022-01-03
公開日2023-01-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7TCY
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BU of 7tcy by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase I
分子名称: CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ...
著者Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D.
登録日2021-12-29
公開日2023-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
5N7W
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BU of 5n7w by Molmil
Computationally designed functional antibody
分子名称: Antibody Fragment Heavy Chain, Antibody Fragment Light Chain, Interleukin-17A
著者Hargreaves, D, Breed, J.
登録日2017-02-21
公開日2018-11-14
最終更新日2018-12-05
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Computational Design of Epitope-Specific Functional Antibodies.
Cell Rep, 25, 2018
2PEC
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BU of 2pec by Molmil
THE REFINED THREE-DIMENSIONAL STRUCTURE OF PECTATE LYASE C FROM ERWINIA CHRYSANTHEMI AT 2.2 ANGSTROMS RESOLUTION: IMPLICATIONS FOR AN ENZYMATIC MECHANISM
分子名称: PECTATE LYASE C
著者Yoder, M.D, Jurnak, F.
登録日1994-08-08
公開日1995-02-14
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein motifs. 3. The parallel beta helix and other coiled folds.
FASEB J., 9, 1995
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-22
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGA
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BU of 6hga by Molmil
Crystal Structure of the human IL-17RC D2-D3-D4 domains in complex with an anti-APP tag Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor C, anti-APP-tag Fab heavy-chain, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
7TMG
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BU of 7tmg by Molmil
Crystal Structure of NAD(P)H nitroreductase from Klebsiella pneumoniae (long b-axis)
分子名称: FLAVIN MONONUCLEOTIDE, NAD(P)H nitroreductase, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae
Acta Crystallogr.,Sect.F, F80, 2024
7TMF
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BU of 7tmf by Molmil
Crystal Structure of NAD(P)H nitroreductase from Klebsiella pneumoniae (short b-axis)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae
Acta Crystallogr.,Sect.F, F80, 2024
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
登録日2016-10-21
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
6GRF
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BU of 6grf by Molmil
Crystal structure of the tandem DUF26 ectodomain from the Arabidopsis thaliana cysteine-rich receptor-like protein PDLP8.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine-rich repeat secretory protein 15
著者Brandt, B, Hothorn, M.
登録日2018-06-11
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic insights into the evolution of DUF26-containing proteins in land plants.
Commun Biol, 2, 2019
7RGR
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BU of 7rgr by Molmil
Lysozyme 056 from Deep neural language modeling
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Artificial protein L056, CHLORIDE ION
著者Fraser, J.S, Holton, J.M, Olmos Jr, J.L, Greene, E.R.
登録日2021-07-15
公開日2021-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Large language models generate functional protein sequences across diverse families.
Nat.Biotechnol., 2023
2HVQ
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BU of 2hvq by Molmil
Structure of Adenylated full-length T4 RNA Ligase 2
分子名称: Hypothetical 37.6 kDa protein in Gp24-hoc intergenic region, MAGNESIUM ION
著者Nandakumar, J, Lima, C.D.
登録日2006-07-30
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
7TI6
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BU of 7ti6 by Molmil
Crystal structure of the wild-type least mutated common ancestor (LMCA) of the HIV-targeting PCT64 antibody lineage
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PCT64_LMCA Fab heavy chain, PCT64_LMCA light chain (wild type)
著者Omorodion, O, Wilson, I.A.
登録日2022-01-12
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
2HVS
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BU of 2hvs by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 2'-deoxyribonucleotide at the nick
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
著者Nandakumar, J, Lima, C.D.
登録日2006-07-30
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVR
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BU of 2hvr by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
著者Nandakumar, J, Lima, C.D.
登録日2006-07-30
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
7T75
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BU of 7t75 by Molmil
HIV-1 Envelope ApexGT2 in complex with RM20A3 Fab
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, HIV Envelope ApexGT2 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T74
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BU of 7t74 by Molmil
HIV-1 Envelope ApexGT2 in complex with PCT64.35S Fab and RM20A3 Fab
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, HIV Envelope ApexGT2 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7T76
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HIV-1 Envelope ApexGT3 in complex with PG9.iGL Fab
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, HIV Envelope ApexGT3 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022

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