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6R6J
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BU of 6r6j by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
5HFM
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BU of 5hfm by Molmil
Gp41-targeting HIV-1 fusion inhibitors with hook-like Ile-Asp-Leu tail
分子名称: Envelope glycoprotein gp160,gp41 CHR region, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-01-07
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
5HFL
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BU of 5hfl by Molmil
Gp41-targeting HIV-1 fusion inhibitors with helical Ile-Asp-Leu tail
分子名称: Envelope glycoprotein,gp41 CHR region
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-01-07
公開日2017-01-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Rational improvement of gp41-targeting HIV-1 fusion inhibitors: an innovatively designed Ile-Asp-Leu tail with alternative conformations
Sci Rep, 6, 2016
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
著者Gobeil, S, Acharya, P.
登録日2021-10-04
公開日2021-11-10
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
6R6Y
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BU of 6r6y by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-28
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
7RAQ
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BU of 7raq by Molmil
Crystal structure of CV3-25 Fab bound to SARS-CoV-2 spike stem helix peptide
分子名称: CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, GLYCEROL, ...
著者Hurlburt, N.K, Pancera, M.
登録日2021-07-02
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural definition of a pan-sarbecovirus neutralizing epitope on the spike S2 subunit.
Commun Biol, 5, 2022
6R6F
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BU of 6r6f by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
分子名称: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2019-03-27
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6SL3
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BU of 6sl3 by Molmil
ALPHA-ACTININ FROM ENTAMOEBA HISTOLYTICA in orthorhombic space group
分子名称: CALCIUM ION, Calponin homology domain protein putative
著者Pinotsis, N, Khan, M.B, Djinovic-Carugo, K.
登録日2019-08-18
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
5EDS
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BU of 5eds by Molmil
Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5
分子名称: 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2015-10-21
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
8DG8
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BU of 8dg8 by Molmil
Cryo-EM Structure of HPIV3 prefusion F trimer in complex with 3x1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3x1 monoclonal antibody, VH region, ...
著者Rodarte, J.V, Pancera, M.
登録日2022-06-23
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Cross-protective antibodies against common endemic respiratory viruses.
Nat Commun, 14, 2023
8DG9
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BU of 8dg9 by Molmil
Cryo-EM Structure of RSV prefusion F trimer in complex with three MxR Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, mAb MxR Heavy Chain, ...
著者Rodarte, J.V, Pancera, M.
登録日2022-06-23
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献Cross-protective antibodies against common endemic respiratory viruses.
Nat Commun, 14, 2023
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
分子名称: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
著者Park, E, Eck, M.J.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.537 Å)
主引用文献Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018
2ER9
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BU of 2er9 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES.
分子名称: ENDOTHIAPEPSIN, L363,564
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
2ER6
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BU of 2er6 by Molmil
The structure of a synthetic pepsin inhibitor complexed with endothiapepsin.
分子名称: ENDOTHIAPEPSIN, H-256 peptide
著者Cooper, J.B, Foundling, S.I, Szelke, M, Blundell, T.L.
登録日1990-10-13
公開日1991-01-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of a synthetic pepsin inhibitor complexed with endothiapepsin
Eur.J.Biochem., 169, 1987
2ER0
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BU of 2er0 by Molmil
X-RAY STUDIES OF ASPARTIC PROTEINASE-STATINE INHIBITOR COMPLEXES
分子名称: ENDOTHIAPEPSIN, L364,099
著者Cooper, J.B, Foundling, S.I, Boger, J, Blundell, T.L.
登録日1990-10-20
公開日1991-01-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray studies of aspartic proteinase-statine inhibitor complexes.
Biochemistry, 28, 1989
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
著者May, A.J, Manne, K, Acharya, P.
登録日2022-07-25
公開日2023-08-02
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
8FMX
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BU of 8fmx by Molmil
Langya virus F glycoprotein ectodomain in prefusion form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D.
登録日2022-12-26
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
8FMY
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BU of 8fmy by Molmil
Mojiang virus F ectodomain in prefusion form
分子名称: Fusion glycoprotein F0
著者Low, Y.S, Isaacs, A, Modhiran, N, Watterson, D.
登録日2022-12-26
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structure and antigenicity of divergent Henipavirus fusion glycoproteins.
Nat Commun, 14, 2023
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-04
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FWD
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BU of 8fwd by Molmil
Fast and versatile sequence- independent protein docking for nanomaterials design using RPXDock
分子名称: O43-rpxdoc-EK1_A, O43-rpxdoc-EK1_B
著者Skotheim, R, Borst, A.J, Baker, D.
登録日2023-01-20
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock.
Plos Comput.Biol., 19, 2023
5NL7
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BU of 5nl7 by Molmil
The crystal structure of the Actin Binding Domain (ABD) of alpha actinin from Entamoeba histolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Calponin homology domain protein putative
著者Pinotsis, N, Djinovic-Carugo, K, Khan, M.B.
登録日2017-04-04
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FOW
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BU of 8fow by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib
分子名称: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ...
著者Schonbrunn, E, Sun, L.
登録日2023-01-03
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7ZOC
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BU of 7zoc by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor
分子名称: CALCIUM ION, Collagenase ColH, ZINC ION, ...
著者Schoenauer, E, Brandstetter, H.
登録日2022-04-25
公開日2023-05-10
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH
Chemrxiv, 2022
5NL6
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BU of 5nl6 by Molmil
The crystal structure of the two spectrin repeat domains from Entamoeba histolytica
分子名称: BETA-MERCAPTOETHANOL, Calponin domain family protein
著者Pinotsis, N, Djinovic-Carugo, K, Khan, M.B.
登録日2017-04-04
公開日2018-05-16
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Calcium modulates the domain flexibility and function of an alpha-actinin similar to the ancestral alpha-actinin.
Proc.Natl.Acad.Sci.USA, 117, 2020

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