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6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2022-02-28
公開日2023-03-22
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
7PL9
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BU of 7pl9 by Molmil
Cryo-EM structure of Bestrhodopsin (rhodopsin-rhodopsin-bestrophin) complex
分子名称: RETINAL, Rhodopsin
著者Matzov, D, Kaczmarczyk, I, Shalev-Benami, M.
登録日2021-08-29
公開日2022-07-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Nat.Struct.Mol.Biol., 29, 2022
7OLZ
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BU of 7olz by Molmil
Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ...
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-20
公開日2021-08-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
7ON5
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BU of 7on5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06
分子名称: 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-25
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
4V1B
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BU of 4v1b by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 collected at the Zn edge
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4V17
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BU of 4v17 by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-25
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4V1K
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BU of 4v1k by Molmil
SeMet structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1
分子名称: 2-HYDROXY BUTANE-1,4-DIOL, CALCIUM ION, CARBOHYDRATE BINDING MODULE, ...
著者Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-29
公開日2016-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
6DBP
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BU of 6dbp by Molmil
RNA-recognition motif 1 of human MSI2
分子名称: RNA-binding protein Musashi homolog 2
著者Goldgur, Y, Kharas, M.G, Minuesa, G.
登録日2018-05-03
公開日2019-05-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia.
Nat Commun, 10, 2019
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3HPT
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BU of 3hpt by Molmil
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
分子名称: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
著者Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
登録日2009-06-04
公開日2009-11-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
4V1I
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BU of 4v1i by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 at medium resolution
分子名称: CARBOHYDRATE BINDING MODULE
著者Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-09-26
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
6PYD
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BU of 6pyd by Molmil
Structure of 3E9 antibody Fab bound to marinobufagenin
分子名称: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ...
著者Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
登録日2019-07-29
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
8C7I
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BU of 8c7i by Molmil
Crystal structure of the PS2 assembly factor Psb32 from the cyanobactium Thermosyncechococcus vestitus (formerly elongatus)
分子名称: Green fluorescent protein,Tll0404 protein
著者Liauw, P, Gasper, R, Nowaczyk, M.M, Hofmann, E.
登録日2023-01-16
公開日2024-01-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Cryo-EM analysis of a novel photosystem II assembly intermediate that binds Psb32
To Be Published
6NY3
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BU of 6ny3 by Molmil
CasX ternary complex with 30bp target DNA
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY2
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BU of 6ny2 by Molmil
CasX-gRNA-DNA(45bp) state I
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
6NY1
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BU of 6ny1 by Molmil
CasX-gRNA-DNA(30bp) State II
分子名称: CasX, DNA Non-target strand, DNA target strand, ...
著者Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A.
登録日2019-02-10
公開日2019-02-27
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CasX enzymes comprise a distinct family of RNA-guided genome editors.
Nature, 566, 2019
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
分子名称: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
著者Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
登録日2022-05-20
公開日2023-01-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
6U57
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BU of 6u57 by Molmil
KDO8PS Structure Determined at the EuXFEL using Segmented Flow Injection
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Botha, S, Ros, A.
登録日2019-08-27
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Segmented flow generator for serial crystallography at the European X-ray free electron laser.
Nat Commun, 11, 2020
3OCX
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BU of 3ocx by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP
分子名称: ADENOSINE-2'-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCW
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BU of 3ocw by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 3'-AMP
分子名称: Lipoprotein E, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
1CUR
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BU of 1cur by Molmil
REDUCED RUSTICYANIN, NMR
分子名称: COPPER (II) ION, CU(I) RUSTICYANIN
著者Botuyan, M.V, Dyson, H.J.
登録日1996-04-19
公開日1996-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of Cu(I) rusticyanin from Thiobacillus ferrooxidans: structural basis for the extreme acid stability and redox potential.
J.Mol.Biol., 263, 1996
3OCV
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BU of 3ocv by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
6AY2
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BU of 6ay2 by Molmil
Structure of CathB with covalently linked Compound 28
分子名称: Cathepsin B, N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
著者Kiefer, J.R, Steinbacher, S.
登録日2017-09-07
公開日2017-12-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity.
J. Med. Chem., 61, 2018

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