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7ZJ4
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BU of 7zj4 by Molmil
Ligand bound state of a brocolli-pepper aptamer FRET tile
Descriptor: 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, ...
Authors:McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-12-21
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite: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
Descriptor: (~{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
Authors:Hong, W.B, Lin, T.W.
Deposit date:2024-02-04
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.683 Å)
Cite: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
Descriptor: HEAT-STABLE ENTEROTOXIN B
Authors:Sukumar, M, Rizo, J, Wall, M, Dreyfus, L.A, Kupersztoch, Y.M, Gierasch, L.M.
Deposit date:1995-06-13
Release date:1995-09-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Sarewicz, M, Szwalec, M, Pintscher, S, Indyka, P, Rawski, M, Pietras, R, Mielecki, B, Koziej, L, Jaciuk, M, Glatt, S, Osyczka, A.
Deposit date:2022-05-25
Release date:2023-01-25
Method:ELECTRON MICROSCOPY (2.13 Å)
Cite: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
Descriptor: HTH-type transcriptional regulator YodB
Authors:Lee, S.J, Lee, I.G, Lee, B.J.
Deposit date:2016-01-25
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Designed cold unfolding four helix bundle
Authors:Harrison, J.S, Kuhlman, B, Szyperski, T, Premkumar, L, Maguire, J, Pulavarti, S, Yuen, S.
Deposit date:2021-12-06
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.34 Å)
Cite: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
Descriptor: 1-methyl-9H-pyrido[3,4-b]indole, L10 monobody, Multidrug transporter EmrE
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.9 Å)
Cite: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)
Descriptor: 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE, Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
Deposit date:2003-01-30
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, Light chain of antibody A19-46.1, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (5.08 Å)
Cite: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
Descriptor: 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
Authors:Park, S.Y.
Deposit date:2016-02-03
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.09 Å)
Cite: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
Descriptor: Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
Deposit date:2003-01-30
Release date:2003-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Inhibitor of TRAP, regulated by T-BOX (Trp) sequence RtpA, MAGNESIUM ION, ...
Authors:Shevtsov, M.B, Chen, Y, Isupov, M.N, Gollnick, P, Antson, A.A.
Deposit date:2010-01-12
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Insulin A-Chain, Insulin B-Chain
Authors:Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A.
Deposit date:2016-01-21
Release date:2017-01-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ...
Authors:Clausen, J.D, Bublitz, M, Arnou, B, Olesen, C, Andersen, J.P, Moller, J.V, Nissen, P.
Deposit date:2015-06-02
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.05 Å)
Cite: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
Descriptor: 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-20
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite: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
Descriptor: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-19
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3
Authors:Dong, J, Caflisch, A.
Deposit date:2014-03-12
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.599 Å)
Cite: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
Descriptor: Cytochrome b, FE2/S2 (INORGANIC) CLUSTER, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gao, X, Wen, X, Esser, L, Quinn, B, Yu, L, Yu, C.-A, Xia, D.
Deposit date:2003-01-30
Release date:2003-10-07
Last modified:2016-03-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Beta-2-microglobulin, GLN-ALA-SER-GLN-GLU-VAL-LYS-ASN-TRP, HLA-B*58:01 Heavy Chain
Authors:Li, X, Wang, J.-H.
Deposit date:2016-03-05
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite: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
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SULFATE ION, porin protein associated with imipenem resistance
Authors:Eren, E, van den Berg, B.
Deposit date:2012-06-28
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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
Descriptor: (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION
Authors: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)
Deposit date:2008-03-31
Release date:2008-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: FAB B1 LC, Fab B1 HC, Toxin B
Authors:Liu, J.
Deposit date:2021-10-29
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.59 Å)
Cite: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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