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6ZTF
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BU of 6ztf by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684
Descriptor: CQY684 Fab heavy-chain, CQY684 Fab light-chain
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2020-07-20
Release date:2021-05-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
7A4D
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BU of 7a4d by Molmil
Crystal structure of the APH coiled-coil in complex with nanobodies Nb28 and Nb30
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, APH coiled-coil, ...
Authors:Hadzi, S.
Deposit date:2020-08-19
Release date:2021-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZTR
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BU of 6ztr by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324)
Descriptor: CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ...
Authors:Rondeau, J.M, Lehmann, S.
Deposit date:2020-07-20
Release date:2021-05-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
7A48
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BU of 7a48 by Molmil
Crystal structure of the APH coiled-coil in complex with Nb49
Descriptor: APH colied-coil, Nanobody 49
Authors:Hadzi, S.
Deposit date:2020-08-19
Release date:2021-05-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZO9
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BU of 6zo9 by Molmil
Binding of two rifabutins to the access pocket of AcrB-G621P T protomer
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6SQK
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BU of 6sqk by Molmil
Crystal structure of mouse PRMT6 with modified H7-4 peptide
Descriptor: H4-7, Protein arginine N-methyltransferase 6
Authors:Bonnefond, L, Cavarelli, J.
Deposit date:2019-09-04
Release date:2020-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of mouse PRMT6 in complex with inhibitors
To Be Published
6ZO5
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BU of 6zo5 by Molmil
Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOB
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BU of 6zob by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB L protomer
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOF
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BU of 6zof by Molmil
Fusidic acid binding to the TM7/TM8 groove of AcrB-F380A T protomer
Descriptor: DARPIN, DECANE, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
3UVR
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BU of 3uvr by Molmil
Human p38 MAP Kinase in Complex with KM064
Descriptor: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:

6ZO6
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BU of 6zo6 by Molmil
Minocycline binding to the deep binding pocket of AcrB-G619P
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
4NGS
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BU of 4ngs by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Pachl, P.
Deposit date:2013-11-02
Release date:2014-06-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
6ZOG
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BU of 6zog by Molmil
Minocycline binding to the deep binding pocket of AcrB-I38F_I671T
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 1,2-ETHANEDIOL, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOE
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BU of 6zoe by Molmil
AcrB-F563A symmetric T protomer
Descriptor: 1,2-ETHANEDIOL, DARPIN, DECANE, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZO8
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BU of 6zo8 by Molmil
Minocycline binding to the deep binding pocket of AcrB-G621P
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6SK8
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BU of 6sk8 by Molmil
DeltaC3 C-terminal truncation of HsNMT1 in complex with MyrCoA and GDCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
6ZOA
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BU of 6zoa by Molmil
Partially induced AcrB T protomer and DDM binding to the TM8/PC2 pathway of AcrB L2 protomer
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DARPIN, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
3UVQ
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BU of 3uvq by Molmil
Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
Descriptor: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside
Authors:Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
Deposit date:2011-11-30
Release date:2012-12-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
6ZO7
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BU of 6zo7 by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer
Descriptor: (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
6ZOH
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BU of 6zoh by Molmil
3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, ...
Authors:Tam, H.K, Foong, W.E, Pos, K.M.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
7A5Y
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BU of 7a5y by Molmil
Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg
Descriptor: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
Authors:Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A.
Deposit date:2020-08-24
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.
Biochemistry, 60, 2021
6NJM
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BU of 6njm by Molmil
Architecture and subunit arrangement of native AMPA receptors
Descriptor: 15F1 Fab heavy chain, 15F1 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gouaux, E, Zhao, Y.
Deposit date:2019-01-03
Release date:2019-04-24
Last modified:2024-12-25
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM.
Science, 364, 2019
6SY4
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BU of 6sy4 by Molmil
TetR in complex with the TetR-binding RNA-aptamer K1
Descriptor: TetR-binding aptamer K1 (43-MER), Tetracycline repressor protein class B from transposon Tn10
Authors:Grau, F.C, Muller, Y.A, Suess, B, Groher, F, Jaeger, J.
Deposit date:2019-09-27
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:The complex formed between a synthetic RNA aptamer and the transcription repressor TetR is a structural and functional twin of the operator DNA-TetR regulator complex.
Nucleic Acids Res., 48, 2020
6SYM
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BU of 6sym by Molmil
Crystal structure of Escherichia coli MsrB (reduced form)
Descriptor: Peptide methionine sulfoxide reductase MsrB, ZINC ION
Authors:Napolitano, S, Zyla, D, Glockshuber, R.
Deposit date:2019-09-30
Release date:2020-10-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6302 Å)
Cite:Structure of Peptide methionine sulfoxide reductase MsrB at 1.63 Angstrom resolution
To Be Published
6NBK
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BU of 6nbk by Molmil
Crystal structure of Arginase from Bacillus cereus
Descriptor: Arginase, CALCIUM ION, MANGANESE (II) ION
Authors:Chang, C, Evdokimova, E, Mcchesney, M, Joachimiak, A, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-07
Release date:2018-12-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of Arginase from Bacillus cereus
To Be Published

243911

數據於2025-10-29公開中

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