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4IP9
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BU of 4ip9 by Molmil
Structure of native human serum amyloid A1
分子名称: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Serum amyloid A-1 protein
著者Lu, J, Sun, P.D.
登録日2013-01-09
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis.
Proc.Natl.Acad.Sci.USA, 111, 2014
6VM2
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BU of 6vm2 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-2)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
4IP8
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BU of 4ip8 by Molmil
Structure of human serum amyloid A1
分子名称: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SULFATE ION, Serum amyloid A-1 protein
著者Lu, J, Sun, P.D.
登録日2013-01-09
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Structural mechanism of serum amyloid A-mediated inflammatory amyloidosis.
Proc.Natl.Acad.Sci.USA, 111, 2014
5D8Q
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BU of 5d8q by Molmil
2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa
分子名称: ARSENIC, Ferroxidase, MAGNESIUM ION, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8O
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BU of 5d8o by Molmil
1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
3BWN
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BU of 3bwn by Molmil
L-tryptophan aminotransferase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ...
著者Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y.
登録日2008-01-10
公開日2008-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants
Cell(Cambridge,Mass.), 133, 2008
3L57
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BU of 3l57 by Molmil
Crystal Structure of the Plasmid pCU1 TraI Relaxase Domain
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, MANGANESE (III) ION, ...
著者Redinbo, M.R, Nash, R.P.
登録日2009-12-21
公開日2010-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献The mechanism and control of DNA transfer by the conjugative relaxase of resistance plasmid pCU1.
Nucleic Acids Res., 38, 2010
8B56
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BU of 8b56 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9
分子名称: (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ...
著者Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P.
登録日2022-09-21
公開日2023-08-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.823 Å)
主引用文献Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
3EFK
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BU of 3efk by Molmil
Structure of c-Met with pyrimidone inhibitor 50
分子名称: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
1OGU
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BU of 1ogu by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
分子名称: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-05-13
公開日2003-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
6CDX
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BU of 6cdx by Molmil
High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin
分子名称: cystine knot (fluoropropylated)
著者Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V.
登録日2018-02-09
公開日2019-08-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis.
Nat Commun, 10, 2019
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
分子名称: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
著者D'Angelo, N, Bellon, S, Whittington, D.
登録日2008-09-09
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
登録日2020-08-08
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CPV
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BU of 7cpv by Molmil
Cryo-EM structure of 80S ribosome from mouse testis
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
著者Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
登録日2020-08-08
公開日2022-02-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CNU
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BU of 7cnu by Molmil
Crystal structure of DLC2 in complex with BMF peptide
分子名称: Bcl-2-modifying factor, Dynein light chain 2, cytoplasmic
著者Wen, Y, Shao, Y.
登録日2020-08-03
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Non-canonical phosphorylation of Bmf by p38 MAPK promotes its apoptotic activity in anoikis.
Cell Death Differ., 29, 2022
8ACL
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BU of 8acl by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8ACD
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BU of 8acd by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S
分子名称: (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P.
登録日2022-07-05
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
8IL0
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BU of 8il0 by Molmil
Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355
分子名称: Glycosyltransferase
著者Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P.
登録日2023-03-01
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
8ILA
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BU of 8ila by Molmil
Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates
分子名称: (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase
著者Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
8TBQ
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BU of 8tbq by Molmil
The crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SNS-101 Fab heavy chain, ...
著者van der Horst, E.H, Mukherjee, A, Thisted, T.
登録日2023-06-29
公開日2024-03-20
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献The pH-selective anti-VISTA antibody SNS-101 displays a favorable pharmacokinetic and safety profile and promotes anti-tumoral M1 macrophage polarization in PD-1 refractory settings
To Be Published
6C2I
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BU of 6c2i by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Sickmier, E.A.
登録日2018-01-08
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Diastereoselective synthesis of fused cyclopropyl-3-amino-2,4-oxazine beta-amyloid cleaving enzyme (BACE) inhibitors and their biological evaluation.
Bioorg. Med. Chem. Lett., 28, 2018
4JPO
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BU of 4jpo by Molmil
5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1
分子名称: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
著者Lovell, S, Battaile, K.P, Singh, R, Roelofs, J.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
6CX0
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Structure of AtTPC1 D376A
分子名称: (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, CALCIUM ION, Two pore calcium channel protein 1
著者Kintzer, A.F, Stroud, R.M.
登録日2018-04-02
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Structural basis for activation of voltage sensor domains in an ion channel TPC1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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