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6RUQ
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BU of 6ruq by Molmil
Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution
Descriptor: (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S.
Deposit date:2019-05-28
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.65 Å)
Cite:Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
Descriptor: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
Authors:Yin, J, Lupardus, P.J, Sudhamsu, J.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
5KJR
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BU of 5kjr by Molmil
Crystal structure of the ADCC-potent antibody N60-i3 Fab in complex with HIV-1 Clade A/E gp120 W69A/S115W mutant and M48U1.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2016-06-20
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A Highly Conserved gp120 Inner Domain Residue Modulates Env Conformation and Trimer Stability.
J.Virol., 90, 2016
7ZKX
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BU of 7zkx by Molmil
SRPK2 IN COMPLEX WITH INHIBITOR
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, ...
Authors:Graedler, U.
Deposit date:2022-04-13
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
5V0S
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BU of 5v0s by Molmil
Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis
Descriptor: CALCIUM ION, Prephenate dehydrogenase, SULFATE ION
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-08
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5UYY
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BU of 5uyy by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine
Descriptor: Prephenate dehydrogenase, TYROSINE
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-24
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6VRS
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BU of 6vrs by Molmil
Single particle reconstruction of glucose isomerase from Streptomyces rubiginosus based on data acquired in the presence of substantial aberrations
Descriptor: MANGANESE (II) ION, xylose isomerase
Authors:Bromberg, R, Guo, Y, Borek, D, Otwinowski, Z.
Deposit date:2020-02-09
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:High-resolution cryo-EM reconstructions in the presence of substantial aberrations
Iucrj, 7, 2020
6VSC
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BU of 6vsc by Molmil
Single particle reconstruction of HemQ from Geobacillus based on data acquired in the presence of substantial aberrations
Descriptor: HemQ
Authors:Bromberg, R, Guo, Y, Borek, D, Otwinowski, Z.
Deposit date:2020-02-11
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:High-resolution cryo-EM reconstructions in the presence of substantial aberrations
Iucrj, 7, 2020
6VSA
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BU of 6vsa by Molmil
Single particle reconstruction of HemQ from Geobacillus based on data acquired in the presence of substantial aberrations
Descriptor: HemQ
Authors:Bromberg, R, Guo, Y, Borek, D, Otwinowski, Z.
Deposit date:2020-02-10
Release date:2020-02-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:High-resolution cryo-EM reconstructions in the presence of substantial aberrations
Iucrj, 7, 2020
4NM5
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BU of 4nm5 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ...
Authors:Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-11-14
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
7SAU
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BU of 7sau by Molmil
Structure of GldLM, the proton-powered motor that drives Type IX protein secretion and gliding motility in Schleiferia thermophila
Descriptor: GldM, Gliding motility protein GldL
Authors:Hennell James, R, Deme, J.C, Lea, S.M.
Deposit date:2021-09-23
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of the Type IX Secretion/Gliding Motility Motor from across the Phylum Bacteroidetes.
Mbio, 13, 2022
4UON
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BU of 4uon by Molmil
Crystal structure of C-terminal truncated (110-265) Aura virus capsid protease.
Descriptor: CAPSID PROTEASE, GLYCEROL
Authors:Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2014-06-05
Release date:2014-06-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Trans-Protease Activity and Structural Insights Into the Active Form of the Alphavirus Capsid Protease.
J.Virol., 88, 2014
4WA2
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BU of 4wa2 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals in complex with 3'SLN
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:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4JTA
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BU of 4jta by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:MacKinnon, R, Banerjee, A, Lee, A, Campbell, E.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
6S8M
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BU of 6s8m by Molmil
S. pombe microtubule decorated with Cut7 motor domain in the AMPPNP state
Descriptor: 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Moores, C.A, von Loeffelholz, O.
Deposit date:2019-07-10
Release date:2019-08-21
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-EM Structure (4.5- angstrom ) of Yeast Kinesin-5-Microtubule Complex Reveals a Distinct Binding Footprint and Mechanism of Drug Resistance.
J.Mol.Biol., 431, 2019
4LV0
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BU of 4lv0 by Molmil
AmpC beta-lactamase in complex with m-aminophenyl boronic acid
Descriptor: Beta-lactamase, M-AMINOPHENYLBORONIC ACID, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.652 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV2
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BU of 4lv2 by Molmil
AmpC beta-lactamase in complex with [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV3
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BU of 4lv3 by Molmil
AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid
Descriptor: (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4LV1
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BU of 4lv1 by Molmil
AmpC beta-lactamase in complex with [1-(3-chlorophenyl)-1H-pyrazol-4-yl] boronic acid
Descriptor: Beta-lactamase, PHOSPHATE ION, [1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Authors:London, N, Eidam, O, Shoichet, B.K.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Covalent docking of large libraries for the discovery of chemical probes.
Nat.Chem.Biol., 10, 2014
4OGR
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BU of 4ogr by Molmil
crystal structure of P-TEFb complex with AFF4 and Tat
Descriptor: ADENOSINE, AF4/FMR2 family member 4, Cyclin-T1, ...
Authors:Schulze-Gahmen, U, Alber, T.
Deposit date:2014-01-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:AFF4 binding to Tat-P-TEFb indirectly stimulates TAR recognition of super elongation complexes at the HIV promoter.
Elife, 3, 2014
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
4NBI
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BU of 4nbi by Molmil
D-aminoacyl-tRNA deacylase (DTD) from Plasmodium falciparum in complex with D-tyrosyl-3'-aminoadenosine at 1.86 Angstrom resolution
Descriptor: 3'-deoxy-3'-(D-tyrosylamino)adenosine, D-tyrosyl-tRNA(Tyr) deacylase, TRIETHYLENE GLYCOL
Authors:Ahmad, S, Routh, S.B, Kamarthapu, V, Sankaranarayanan, R.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mechanism of chiral proofreading during translation of the genetic code.
Elife, 2, 2013
8GH8
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BU of 8gh8 by Molmil
RuvA Holliday junction DNA complex
Descriptor: DNA (34-MER), Holliday junction branch migration complex subunit RuvA
Authors:Rish, A.D, Fu, T.
Deposit date:2023-03-09
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:RuvA Holliday junction DNA complex
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