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7ZJ4
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Ligand bound state of a brocolli-pepper aptamer FRET tile
分子名称: 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ...
著者McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
登録日2022-04-08
公開日2023-04-19
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4.43 Å)
主引用文献Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
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, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCC
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BU of 7tcc by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
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, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
8Y7L
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BU of 8y7l by Molmil
Crystal Structure of Nur77 LBD in complex with N-(2'-(4-hydroxypiperidin-1-yl)-[4,4'-bipyridin]-2-yl)cinnamamide
分子名称: (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide, Nuclear receptor subfamily 4immunitygroup A member 1
著者Hong, W.B, Lin, T.W.
登録日2024-02-04
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Discovery of a novel exceptionally potent and orally active Nur77 ligand NB1 with a distinct binding mode for cancer therapy
Acta Pharm Sin B, 2024
1EHS
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BU of 1ehs by Molmil
THE STRUCTURE OF ESCHERICHIA COLI HEAT-STABLE ENTEROTOXIN B BY NUCLEAR MAGNETIC RESONANCE AND CIRCULAR DICHROISM
分子名称: HEAT-STABLE ENTEROTOXIN B
著者Sukumar, M, Rizo, J, Wall, M, Dreyfus, L.A, Kupersztoch, Y.M, Gierasch, L.M.
登録日1995-06-13
公開日1995-09-15
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献The structure of Escherichia coli heat-stable enterotoxin b by nuclear magnetic resonance and circular dichroism.
Protein Sci., 4, 1995
7ZYV
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BU of 7zyv by Molmil
Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.13 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, BETA-CAROTENE, ...
著者Sarewicz, M, Szwalec, M, Pintscher, S, Indyka, P, Rawski, M, Pietras, R, Mielecki, B, Koziej, L, Jaciuk, M, Glatt, S, Osyczka, A.
登録日2022-05-25
公開日2023-01-25
実験手法ELECTRON MICROSCOPY (2.13 Å)
主引用文献High-resolution cryo-EM structures of plant cytochrome b 6 f at work.
Sci Adv, 9, 2023
5HS8
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BU of 5hs8 by Molmil
Crystal structure of the diamide-treated YodB from B. subtilis
分子名称: HTH-type transcriptional regulator YodB
著者Lee, S.J, Lee, I.G, Lee, B.J.
登録日2016-01-25
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two distinct mechanisms of transcriptional regulation by the redox sensor YodB
Proc.Natl.Acad.Sci.USA, 113, 2016
7T2Y
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BU of 7t2y by Molmil
X-ray structure of a designed cold unfolding four helix bundle
分子名称: Designed cold unfolding four helix bundle
著者Harrison, J.S, Kuhlman, B, Szyperski, T, Premkumar, L, Maguire, J, Pulavarti, S, Yuen, S.
登録日2021-12-06
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献From Protein Design to the Energy Landscape of a Cold Unfolding Protein.
J.Phys.Chem.B, 126, 2022
7SVX
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BU of 7svx by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and harmane
分子名称: 1-methyl-9H-pyrido[3,4-b]indole, L10 monobody, Multidrug transporter EmrE
著者Kermani, A.A, Stockbridge, R.B.
登録日2021-11-19
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
1NU1
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BU of 1nu1 by Molmil
Crystal Structure of Mitochondrial Cytochrome bc1 Complexed with 2-nonyl-4-hydroxyquinoline N-oxide (NQNO)
分子名称: 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
登録日2003-01-30
公開日2003-10-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Biochemistry, 42, 2003
7TC9
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BU of 7tc9 by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibody A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, Light chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (5.08 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
5I0B
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BU of 5i0b by Molmil
Structure of PAK4
分子名称: 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine, Serine/threonine-protein kinase PAK 4
著者Park, S.Y.
登録日2016-02-03
公開日2016-12-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献The discovery and the structural basis of an imidazo[4,5-b]pyridine-based p21-activated kinase 4 inhibitor
Bioorg. Med. Chem. Lett., 26, 2016
1NTZ
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BU of 1ntz by Molmil
Crystal Structure of Mitochondrial Cytochrome bc1 Complex Bound with Ubiquinone
分子名称: Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
登録日2003-01-30
公開日2003-10-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Biochemistry, 42, 2003
3LD0
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BU of 3ld0 by Molmil
Crystal structure of B.licheniformis Anti-TRAP protein, an antagonist of TRAP-RNA interactions
分子名称: Inhibitor of TRAP, regulated by T-BOX (Trp) sequence RtpA, MAGNESIUM ION, ...
著者Shevtsov, M.B, Chen, Y, Isupov, M.N, Gollnick, P, Antson, A.A.
登録日2010-01-12
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bacillus licheniformis Anti-TRAP can assemble into two types of dodecameric particles with the same symmetry but inverted orientation of trimers.
J.Struct.Biol., 170, 2010
5HQI
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BU of 5hqi by Molmil
Insulin with proline analog HzP at position B28 in the T2 state
分子名称: Insulin A-Chain, Insulin B-Chain
著者Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
登録日2016-01-21
公開日2017-01-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
5A3Q
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BU of 5a3q by Molmil
Crystal structure of the (SR) Calcium ATPase E2-vanadate complex bound to thapsigargin and TNP-AMPPCP
分子名称: CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
著者Clausen, J.D, Bublitz, M, Arnou, B, Olesen, C, Andersen, J.P, Moller, J.V, Nissen, P.
登録日2015-06-02
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase.
Structure, 24, 2016
4P5Z
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BU of 4p5z by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
著者Dong, J, Caflisch, A.
登録日2014-03-20
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4P5Q
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BU of 4p5q by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
著者Dong, J, Caflisch, A.
登録日2014-03-19
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4P4C
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BU of 4p4c by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2014-03-12
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
1NTK
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BU of 1ntk by Molmil
Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Antimycin A1
分子名称: Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
登録日2003-01-30
公開日2003-10-07
最終更新日2016-03-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Biochemistry, 42, 2003
5IM7
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BU of 5im7 by Molmil
Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection
分子名称: Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, HLA-B*58:01 Heavy Chain
著者Li, X, Wang, J.-H.
登録日2016-03-05
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
4FUV
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BU of 4fuv by Molmil
Crystal Structure of Acinetobacter baumannii CarO
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, porin protein associated with imipenem resistance
著者Eren, E, van den Berg, B.
登録日2012-06-28
公開日2013-07-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Outer membrane transport of amino acids and antibiotics by an 8-stranded b-barrel protein
To be Published
3CP6
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BU of 3cp6 by Molmil
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
分子名称: (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
著者Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2008-03-31
公開日2008-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
7SO7
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BU of 7so7 by Molmil
Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B
分子名称: FAB B1 LC, Fab B1 HC, Toxin B
著者Liu, J.
登録日2021-10-29
公開日2022-05-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Novel structural insights for a pair of monoclonal antibodies recognizing non-overlapping epitopes of the glucosyltransferase domain of Clostridium difficile toxin B.
Curr Res Struct Biol, 4, 2022

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