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7SHI
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BU of 7shi by Molmil
Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s
Descriptor: AmphL, Amphotericin B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Amaya, J.A, Poulos, T.L.
Deposit date:2021-10-08
Release date:2022-03-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of P450 AmphL from Streptomyces nodosus provides insights into substrate selectivity of polyene macrolide antibiotic biosynthetic P450s.
J.Biol.Chem., 298, 2022
6PWN
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BU of 6pwn by Molmil
MscS Nanodisc with N-terminal His-Tag
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, HEXADECANE, Small-conductance mechanosensitive channel
Authors:Reddy, B.G, Perozo, E.
Deposit date:2019-07-23
Release date:2020-01-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS.
Elife, 8, 2019
6PWO
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BU of 6pwo by Molmil
MscS DDM
Descriptor: Small-conductance mechanosensitive channel
Authors:Reddy, B.G, Perozo, E.
Deposit date:2019-07-23
Release date:2020-01-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of force-from-lipids gating in the mechanosensitive channel MscS.
Elife, 8, 2019
7S4L
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BU of 7s4l by Molmil
CryoEM structure of Methylotuvimicrobium alcaliphilum 20Z pMMO in a POPC nanodisc at 2.46 Angstrom resolution
Descriptor: (S)-2,3-bis(hexanoyloxy)propyl(2-(trimethylammonio)ethyl)phosphate, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, COPPER (II) ION, ...
Authors:Koo, C.W, Rosenzweig, A.C.
Deposit date:2021-09-09
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer.
Science, 375, 2022
4O4I
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BU of 4o4i by Molmil
Tubulin-Laulimalide-Epothilone A complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
6Q9F
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BU of 6q9f by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ...
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
6Q9I
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BU of 6q9i by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, FORMIC ACID, ...
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:AspH-H679A.Factor X Complex
To Be Published
3V5E
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BU of 3v5e by Molmil
Crystal structure of ClpP from Staphylococcus aureus in the active, extended conformation
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Gersch, M, List, A, Groll, M, Sieber, S.
Deposit date:2011-12-16
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into structural network responsible for oligomerization and activity of bacterial virulence regulator caseinolytic protease P (ClpP) protein.
J.Biol.Chem., 287, 2012
7RTZ
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BU of 7rtz by Molmil
X-ray crystallographic structure of a beta-hairpin peptide derived from amyloid beta 14-40
Descriptor: Amyloid-beta protein 40, CHLORIDE ION
Authors:Samdin, T.D, Kreutzer, A.G, Nowick, J.S.
Deposit date:2021-08-16
Release date:2022-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A beta-Barrel-Like Tetramer Formed by a beta-Hairpin Derived From A beta
Chem Sci, 2023
3V5I
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BU of 3v5i by Molmil
The crystal structure of the mutant ClpP S98A (Staphylococcus aureus)
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:List, A, Gersch, M, Groll, M, Sieber, S.
Deposit date:2011-12-16
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into structural network responsible for oligomerization and activity of bacterial virulence regulator caseinolytic protease P (ClpP) protein.
J.Biol.Chem., 287, 2012
6QA5
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BU of 6qa5 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in the apo form
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, TETRAETHYLENE GLYCOL
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Apo aspH-H679A
To Be Published
4MB5
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BU of 4mb5 by Molmil
Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase 60, DI(HYDROXYETHYL)ETHER, ...
Authors:Malecki, P.H, Vorgias, C.E, Rypniewski, W.
Deposit date:2013-08-19
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.639 Å)
Cite:Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution
Acta Crystallogr.,Sect.D, 70, 2014
7RWS
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BU of 7rws by Molmil
Structure of SAVED domain of Cap5 from Lactococcus lactis in complex with cGAMP
Descriptor: 3'2'-cGAMP, SAVED domain-containing protein
Authors:Huang, R.H, Chakravarti, A, Fatma, S.
Deposit date:2021-08-20
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanisms of the CdnG-Cap5 antiphage defense system employing 3',2'-cGAMP as the second messenger.
Nat Commun, 12, 2021
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
8X64
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BU of 8x64 by Molmil
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine
Descriptor: Histamine H1 receptor,Soluble cytochrome b562, desloratadine
Authors:Wang, D.D, Guo, Q.
Deposit date:2023-11-20
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
7S3Y
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BU of 7s3y by Molmil
Structure ofrat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S3X
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BU of 7s3x by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Selective anti-MRSA inhibitors targetting bacterial nitric oxide synthase
To be published
7S3Z
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BU of 7s3z by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7297 Å)
Cite:Selective anti-MRSA inhibitors targeting bacterial nitric oxide synthase
To be published
7S40
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BU of 7s40 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2021-09-08
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7969 Å)
Cite:Selective anti-MRSA inhitors targeting bacterial nitric oxide synthase
To be published
4O61
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BU of 4o61 by Molmil
Structure of human ALKBH5 crystallized in the presence of citrate
Descriptor: CITRIC ACID, GLYCEROL, RNA demethylase ALKBH5, ...
Authors:Tempel, W, Chao, X, Liu, K, Dong, A, Cerovina, T, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-20
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of human ALKBH5 demethylase reveal a unique binding mode for specific single-stranded N6-methyladenosine RNA demethylation.
J.Biol.Chem., 289, 2014
4O4J
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BU of 4o4j by Molmil
Tubulin-Peloruside A complex
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside A.
Angew.Chem.Int.Ed.Engl., 53, 2014
4O4H
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BU of 4o4h by Molmil
Tubulin-Laulimalide complex
Descriptor: CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
4O4L
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BU of 4o4l by Molmil
Tubulin-Peloruside A-Epothilone A complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ...
Authors:Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O.
Deposit date:2013-12-18
Release date:2014-03-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of microtubule stabilization by laulimalide and peloruside a.
Angew.Chem.Int.Ed.Engl., 53, 2014
4O8O
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BU of 4o8o by Molmil
Crystal structure of SthAraf62A, a GH62 family alpha-L-arabinofuranosidase from Streptomyces thermoviolaceus, bound to alpha-L-arabinose
Descriptor: Alpha-L-arabinofuranosidase, CALCIUM ION, alpha-L-arabinofuranose
Authors:Stogios, P.J, Wang, W, Xu, X, Cui, H, Master, E, Savchenko, A.
Deposit date:2013-12-28
Release date:2014-07-02
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Elucidation of the molecular basis for arabinoxylan-debranching activity of a thermostable family GH62 alpha-l-arabinofuranosidase from Streptomyces thermoviolaceus.
Appl.Environ.Microbiol., 80, 2014

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數據於2024-09-11公開中

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