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7PQU
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BU of 7pqu by Molmil
Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563)
分子名称: 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
著者Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
登録日2021-09-20
公開日2022-08-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
7PXZ
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BU of 7pxz by Molmil
Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase, CHLORIDE ION
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-08
公開日2023-01-18
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation
To Be Published
7PZQ
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BU of 7pzq by Molmil
Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J.
登録日2021-10-13
公開日2023-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation
To Be Published
6YAQ
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BU of 6yaq by Molmil
Crystal sttructure of ZmCKO8 in complex with inhibitor 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea
分子名称: 1,2-ETHANEDIOL, 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea, Cytokinin dehydrogenase 8, ...
著者Kopecny, D, Briozzo, P, Morera, S.
登録日2020-03-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Diphenylurea-derived cytokinin oxidase/dehydrogenase inhibitors for biotechnology and agriculture.
J.Exp.Bot., 72, 2021
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
1K0T
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BU of 1k0t by Molmil
NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB
分子名称: IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I
著者Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D.
登録日2001-09-20
公開日2002-06-05
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I.
J.Biol.Inorg.Chem., 7, 2002
1K2X
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BU of 1k2x by Molmil
Crystal structure of putative asparaginase encoded by Escherichia coli ybiK gene
分子名称: CHLORIDE ION, Putative L-asparaginase, SODIUM ION
著者Borek, D, Jaskolski, M.
登録日2001-09-30
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal packing of plant-type L-asparaginase from Escherichia coli.
Acta Crystallogr.,Sect.D, 64, 2008
1JRK
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BU of 1jrk by Molmil
Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Nudix homolog
著者Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2001-08-13
公開日2002-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets.
Acta Crystallogr.,Sect.D, 58, 2002
1FNK
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BU of 1fnk by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
7QO7
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BU of 7qo7 by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529
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Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D.
登録日2021-12-23
公開日2022-01-19
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion
Biorxiv, 2021
7QO9
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BU of 7qo9 by Molmil
SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD and NTD (Local)
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, Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529, ...
著者Ni, D, Lau, K, Turelli, P, Beckert, B, Nazarov, S, Pojer, F, Myasnikov, A, Stahlberg, H, Trono, D.
登録日2021-12-23
公開日2022-01-26
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Structural analysis of the Spike of the Omicron SARS-COV-2 variant by cryo-EM and implications for immune evasion
Biorxiv, 2021
1WKP
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BU of 1wkp by Molmil
Flowering locus t (ft) from arabidopsis thaliana
分子名称: FLOWERING LOCUS T protein, SULFATE ION
著者Miller, D, Banfield, M.J, Winter, V.J, Brady, R.L.
登録日2004-06-01
公開日2005-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A divergent external loop confers antagonistic activity on floral regulators FT and TFL1.
Embo J., 25, 2006
5MPP
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BU of 5mpp by Molmil
Structure of AaLS-wt
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-17
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
6YRK
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BU of 6yrk by Molmil
P140-P110 complex fitted into the cryo-electron density map of the heterodimer
分子名称: Adhesin P1, Mgp-operon protein 3
著者Scheffer, M.P, Aparicio, D.
登録日2020-04-20
公開日2020-06-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium.
Nat Commun, 11, 2020
1K3B
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BU of 1k3b by Molmil
Crystal Structure of Human Dipeptidyl Peptidase I (Cathepsin C): Exclusion Domain Added to an Endopeptidase Framework Creates the Machine for Activation of Granular Serine Proteases
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SULFATE ION, ...
著者Turk, D, Janjic, V, Stern, I, Podobnik, M, Lamba, D, Dahl, S.W, Lauritzen, C, Pedersen, J, Turk, V, Turk, B.
登録日2001-10-02
公開日2002-04-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of human dipeptidyl peptidase I (cathepsin C): exclusion domain added to an endopeptidase framework creates the machine for activation of granular serine proteases.
EMBO J., 20, 2001
1FDS
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BU of 1fds by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH 17-BETA-ESTRADIOL
分子名称: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL
著者Housset, D, Breton, R, Mazza, C, Fontecilla-Camps, J.-C.
登録日1996-06-28
公開日1997-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors.
Structure, 4, 1996
6YL4
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BU of 6yl4 by Molmil
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
分子名称: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2
著者Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
登録日2020-04-06
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
1WKD
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TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
1WKE
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BU of 1wke by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
1WKF
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BU of 1wkf by Molmil
TRNA-GUANINE TRANSGLYCOSYLASE
分子名称: TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION
著者Romier, C, Reuter, K, Suck, D, Ficner, R.
登録日1996-08-06
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mutagenesis and crystallographic studies of Zymomonas mobilis tRNA-guanine transglycosylase reveal aspartate 102 as the active site nucleophile.
Biochemistry, 35, 1996
329D
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BU of 329d by Molmil
EFFECT OF CYTOSINE METHYLATION ON DNA-DNA RECOGNITION AT CPG STEPS
分子名称: DNA (5'-D(*AP*CP*CP*GP*CP*(5CM)P*GP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*CP*(5CM)P*GP*GP*CP*GP*GP*T)-3')
著者Mayer-Jung, C, Moras, D, Timsit, Y.
登録日1997-04-29
公開日1997-04-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Effect of cytosine methylation on DNA-DNA recognition at CpG steps.
J.Mol.Biol., 270, 1997
6PBW
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BU of 6pbw by Molmil
Crystal structure of Fab667 complex
分子名称: Fab667 heavy chain, Fab667 light chain, GLYCEROL, ...
著者Oyen, D, Wilson, I.A.
登録日2019-06-14
公開日2020-03-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.058 Å)
主引用文献Structure and mechanism of monoclonal antibody binding to the junctional epitope of Plasmodium falciparum circumsporozoite protein.
Plos Pathog., 16, 2020
7TLY
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BU of 7tly by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant (RBD + S309 Local Refinement)
分子名称: S309 Fab heavy chain, S309 Fab light chain, Spike glycoprotein, ...
著者McCallum, M, Veesler, D, 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2022-03-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
4Y7S
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Crystal Structure of the CFEM protein Csa2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, HEME B/C, ...
著者Dvir, H, Weissman, Z, Nasser, L, Hiya, D, Kornitzer, D.
登録日2015-02-16
公開日2016-08-03
最終更新日2016-10-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of haem-iron acquisition by fungal pathogens.
Nat Microbiol, 1, 2016

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