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8EDB
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5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
分子名称: 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-09-03
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
7Q3E
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Structure of the mouse CPLANE-RSG1 complex
分子名称: Ciliogenesis and planar polarity effector 2, GUANOSINE-5'-TRIPHOSPHATE, Protein fuzzy homolog, ...
著者Langousis, G, Cavadini, S, Kempf, G, Matthias, P.
登録日2021-10-27
公開日2022-04-06
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of the ciliogenesis-associated CPLANE complex.
Sci Adv, 8, 2022
7Q3D
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Structure of the human CPLANE complex
分子名称: Protein fuzzy homolog, Protein inturned, WD repeat-containing and planar cell polarity effector protein fritz homolog
著者Langousis, G, Cavadini, S, Kempf, G, Matthias, P.
登録日2021-10-27
公開日2022-04-06
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structure of the ciliogenesis-associated CPLANE complex.
Sci Adv, 8, 2022
8EDF
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Bovine Fab SKD in complex with Sars COV-2 receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKD Fab Light chain, SKD Fab heavy chain, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-04
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECZ
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Bovine Fab 4C1
分子名称: 4C1 Fab heavy chain, 4C1 Fab light chain, PHOSPHATE ION
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-02
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECQ
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Bovine Fab 2G3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G3 Fab Heavy chain, 2G3 Fab Light chain, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-02
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ECV
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Bovine Fab 2F12
分子名称: 2F12 Fab Heavy chain, 2F12 Fab Light chain
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-02
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8ED1
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Bovine Fab 5C1
分子名称: 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ...
著者Stanfield, R.L, Wilson, I.A.
登録日2022-09-02
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EW4
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Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8EY5
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Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-26
公開日2022-11-09
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8EW7
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Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 2
分子名称: COBALT (II) ION, MYRISTIC ACID, Serum albumin
著者Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2022-10-21
公開日2022-11-09
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
8EQ9
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Co-crystal structure of PERK with compound 11
分子名称: (2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Zhu, G, Surman, M.D, Mulvihill, M.J.
登録日2022-10-07
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
8EQD
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Co-crystal structure of PERK with compound 24
分子名称: (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Zhu, G, Surman, M.D, Mulvihill, M.J.
登録日2022-10-07
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
8EQE
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Co-crystal structure of PERK with compound 26
分子名称: (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide, Eukaryotic translation initiation factor 2-alpha kinase 3
著者Zhu, G, Surman, M.D, Mulvihill, M.J.
登録日2022-10-07
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.559 Å)
主引用文献Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
8ERA
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RMC-5552 in complex with mTORC1 and FKBP12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER6
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FKBP12-FRB in Complex with Compound 11
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8ER7
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FKBP12-FRB in Complex with Compound 12
分子名称: (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ...
著者Tomlinson, A.C.A, Yano, J.K.
登録日2022-10-11
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors.
J.Med.Chem., 66, 2023
8F7U
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Macrocyclic Plasmin Inhibitor
分子名称: (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide, Activation peptide, GLYCEROL, ...
著者Guojie, W.
登録日2022-11-20
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Synthesis and structural characterization of new macrocyclicplasmin inhibitors
Chemmedchem, 2023
7AP4
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Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA
分子名称: (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid, Aspartate--tRNA(Asp) ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
4WAF
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Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha
分子名称: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Knapp, M.S, Elling, R.A.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6B59
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Carbonic anhydrase II in complex with nitrogenous base-bearing benezenesulfonamide
分子名称: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Lomelino, C.L, McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.638 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
3F1A
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F19
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
6B5A
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Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide
分子名称: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, ZINC ION
著者Lomelino, C.L, McKenna, R.M.
登録日2017-09-28
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.622 Å)
主引用文献Discovery of New Sulfonamide Carbonic Anhydrase IX Inhibitors Incorporating Nitrogenous Bases.
ACS Med Chem Lett, 8, 2017
3F18
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007

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