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6TW8
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BU of 6tw8 by Molmil
Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
Descriptor: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
Authors:Brannigan, J.A.
Deposit date:2020-01-12
Release date:2021-07-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Leishmania major N-myristoyltransferase in complex with indazole inhibitor IMP-917
To Be Published
3DQT
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BU of 3dqt by Molmil
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2008-07-09
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
3DSE
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BU of 3dse by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
4N9W
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BU of 4n9w by Molmil
Crystal structure of phosphatidyl mannosyltransferase PimA
Descriptor: 1,2-ETHANEDIOL, GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE
Authors:Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M.
Deposit date:2013-10-21
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
5VT8
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BU of 5vt8 by Molmil
Crystal Structure of Mouse Cadherin-23 EC24-25
Descriptor: CALCIUM ION, Cadherin-23
Authors:Jaiganesh, A, Sotomayor, M.
Deposit date:2017-05-15
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
4LSK
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BU of 4lsk by Molmil
Crystal Structure of tRNA Proline (CGG) Bound to Codon CCG-G on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Maehigashi, T, Dunkle, J.A, Dunham, C.M.
Deposit date:2013-07-22
Release date:2014-08-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.48000622 Å)
Cite:Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LT8
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BU of 4lt8 by Molmil
Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-G on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Maehigashi, T, Dunkle, J.A, Dunham, C.M.
Deposit date:2013-07-23
Release date:2014-08-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.14000177 Å)
Cite:Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
5I8D
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BU of 5i8d by Molmil
Crystal Structure of Mouse Cadherin-23 EC19-21 S2064P
Descriptor: CALCIUM ION, Cadherin-23
Authors:Jaiganesh, A, Sotomayor, M.
Deposit date:2016-02-18
Release date:2017-08-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 2018
6AIS
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BU of 6ais by Molmil
Loop deletion mutant (deleting two residues)
Descriptor: Outer surface protein A
Authors:Shiga, S, Makabe, K.
Deposit date:2018-08-24
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Domain-Swapping Design by Polyproline Rod Insertion.
Chembiochem, 20, 2019
5ULU
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BU of 5ulu by Molmil
Crystal Structure of Mouse Cadherin-23 EC19-21 (S2087P) with non-syndromic deafness (DFNB12) associated mutation D2148N
Descriptor: CALCIUM ION, Cadherin-23
Authors:Jaiganesh, A, Sotomayor, M.
Deposit date:2017-01-25
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
1AXM
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BU of 1axm by Molmil
HEPARIN-LINKED BIOLOGICALLY-ACTIVE DIMER OF FIBROBLAST GROWTH FACTOR
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ACIDIC FIBROBLAST GROWTH FACTOR
Authors:DiGabriele, A.D, Lax, I, Chen, D.I, Svahn, C.M, Jaye, M, Schlessinger, J, Hendrickson, W.A.
Deposit date:1997-10-16
Release date:1998-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of a heparin-linked biologically active dimer of fibroblast growth factor.
Nature, 393, 1998
6UD9
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BU of 6ud9 by Molmil
S2 symmetric peptide design number 2, Morticia
Descriptor: S2-2, Morticia
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UCX
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BU of 6ucx by Molmil
S2 symmetric peptide design number 1, Wednesday
Descriptor: S2-1, Wednesday, trifluoroacetic acid
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDZ
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BU of 6udz by Molmil
S2 symmetric peptide design number 4 crystal form 1, Pugsley
Descriptor: S2-4, Pusgley crystal form 1, trifluoroacetic acid
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-20
Release date:2020-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
5EC7
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BU of 5ec7 by Molmil
Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2015-10-20
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0
to be published
5DK8
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BU of 5dk8 by Molmil
Human ubiquitin in the P1 space group
Descriptor: MAGNESIUM ION, Polyubiquitin-B
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2015-09-03
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:New crystal form of human ubiquitin in the presence of magnesium.
Acta Crystallogr.,Sect.F, 72, 2016
6BED
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BU of 6bed by Molmil
Crystal structure of VACV D13 in complex with Rifampicin
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, RIFAMPICIN, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1BDN
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BU of 1bdn by Molmil
CRYSTAL LATTICE PACKING IS IMPORTANT IN DETERMINING THE BEND OF A DNA DODECAMER CONTAINING AN ADENINE TRACT
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*TP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:DiGabriele, A.D, Sanderson, M.R, Steitz, T.A.
Deposit date:1989-07-25
Release date:1991-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal lattice packing is important in determining the bend of a DNA dodecamer containing an adenine tract.
Proc.Natl.Acad.Sci.USA, 86, 1989
4NC9
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BU of 4nc9 by Molmil
Crystal structure of phosphatidyl mannosyltransferase PimA
Descriptor: GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase
Authors:Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M.
Deposit date:2013-10-24
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
6BEC
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BU of 6bec by Molmil
Crystal structure of VACV D13 in complex with Rifabutin
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, RIFABUTIN, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEG
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BU of 6beg by Molmil
Crystal structure of VACV D13 F486A mutant
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4OPV
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BU of 4opv by Molmil
Unliganded crystal structure of P domain from norovirus strain Farmington Hills 2004 co-crystallized with HBGA type Lea
Descriptor: Major capsid protein
Authors:Singh, B.K, Leuthold, M.M, Hansman, G.S.
Deposit date:2014-02-06
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Unliganded crystal structure of P domain from norovirus strain Farmington Hills 2004 co-crystallized with HBGA type Lea
To be Published
6BEB
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BU of 6beb by Molmil
Crystal structure of VACV D13 in complex with Rifamycin SV
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Scaffold protein D13, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BEF
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BU of 6bef by Molmil
Crystal structure of VACV D13 in complex with 3-formyl rifamycin SV
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, FORMIC ACID, ...
Authors:Garriga, D, Accurso, C, Coulibaly, F.
Deposit date:2017-10-25
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for the inhibition of poxvirus assembly by the antibiotic rifampicin.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7N6P
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BU of 7n6p by Molmil
Crystal structure of the anti-EBOV and SUDV monoclonal antibody 1C3 Fab
Descriptor: 1C3 Fab heavy chain, 1C3 Fab light chain
Authors:Milligan, J.C, Yu, X, Buck, T, Saphire, E.O.
Deposit date:2021-06-08
Release date:2022-04-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Asymmetric and non-stoichiometric glycoprotein recognition by two distinct antibodies results in broad protection against ebolaviruses.
Cell, 185, 2022

238582

数据于2025-07-09公开中

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