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8UT9
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BU of 8ut9 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-28 days post immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT3
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BU of 8ut3 by Molmil
CryoEM structure of A/Perth/16/2009 H3 in complex with flu HA central stem VH1-18 antibody UCA6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UWA
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BU of 8uwa by Molmil
VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
Descriptor: 09-1B12 heavy chain, 09-1B12 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maurer, D.P.
Deposit date:2023-11-06
Release date:2024-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4.02 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT8
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BU of 8ut8 by Molmil
CryoEM structure of A/Shanghai/1/2013 H7 in complex with polyclonal Fab from mice immunized with H7 stem nanoparticles-15 days post-immunization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT4
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BU of 8ut4 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody 09-1B12
Descriptor: 09-1B12 HC Fv, 09-1B12 LC Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
8UT5
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BU of 8ut5 by Molmil
CryoEM structure of A/Michigan/45/2015 H1 in complex with flu HA central stem VH1-18 antibody UCA6_N55T
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:Huang, J, Han, J, Ward, A.B.
Deposit date:2023-10-30
Release date:2024-05-08
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
Authors:Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
Deposit date:2020-09-17
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
8PSY
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BU of 8psy by Molmil
ERK2 covelently bound to RU68 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PSW
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BU of 8psw by Molmil
ERK2 covalently bound to RU67 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT1
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BU of 8pt1 by Molmil
ERK2 covelently bound to RU76 cyclohexenone based inhibitor
Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT3
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BU of 8pt3 by Molmil
ERK2 covelently bound to RU77 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PST
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BU of 8pst by Molmil
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Gogl, G, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
8PT0
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BU of 8pt0 by Molmil
ERK2 covelently bound to RU75 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
2YNY
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BU of 2yny by Molmil
Salmonella enterica SadA 255-302 fused to GCN4 adaptors (SadAK1)
Descriptor: GENERAL CONTROL PROTEIN GCN4, PUTATIVE INNER MEMBRANE PROTEIN
Authors:Hartmann, M.D, Hernandez Alvarez, B, Albrecht, R, Lupas, A.N.
Deposit date:2012-10-20
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Complete Fiber Structures of Complex Trimeric Autotransporter Adhesins Conserved in Enterobacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012
3FW3
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BU of 3fw3 by Molmil
Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ...
Authors:Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J.
Deposit date:2009-01-16
Release date:2009-12-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
5LCP
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BU of 5lcp by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5FIX
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BU of 5fix by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-FRUCTOFURANOSIDASE, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2015-10-02
Release date:2016-02-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.565 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5FK8
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BU of 5fk8 by Molmil
Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with Neo-erlose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-FRUCTOFURANOSIDASE, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2015-10-15
Release date:2016-02-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity
J.Biol.Chem., 291, 2016
5M0U
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BU of 5m0u by Molmil
Apostructure structure of cAMP-dependent Protein Kinase (PKA) from CHO cells with a peptidic inhibitor fragment
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA)
To Be Published
5M0C
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BU of 5m0c by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.734 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
5M0L
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BU of 5m0l by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.465 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5M1G
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BU of 5m1g by Molmil
Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid
Descriptor: Gag protein
Authors:Nicastro, G, Ball, N, Taylor, I.A.
Deposit date:2016-10-07
Release date:2016-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a Spumaretrovirus Gag Central Domain Reveals an Ancient Retroviral Capsid.
Plos Pathog., 12, 2016
5EGA
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BU of 5ega by Molmil
2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor
Descriptor: 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kumar, G, White, S.W.
Deposit date:2015-10-26
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes.
Sci Rep, 6, 2016

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