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4XJL
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BU of 4xjl by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
Descriptor: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
6O9F
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BU of 6o9f by Molmil
The structure of Thermomyces Lanuginosa lipase in complex with 1,3 diacylglycerol in a monoclinic crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2019-03-13
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
6OSZ
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BU of 6osz by Molmil
High Resolution Structure of the Monoclinic Form of Thermomyces Lanuginosa Lipase Complexed with Its Catalytic Products
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ...
Authors:McPherson, A.
Deposit date:2019-05-02
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
6O8V
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BU of 6o8v by Molmil
The structure of lipase from Thermomyces Lanuginosa in complex with 1,3 diacylglycerol: Rhombohedral crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, Lipase, ...
Authors:McPherson, A.
Deposit date:2019-03-12
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structures of Thermomyces (Humicola) Lanuginosa Lipase in Complex with Enzymatic Reactants
Curr Enzym Inhib, 16, 2020
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
6U60
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BU of 6u60 by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ...
Authors:Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-08-28
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 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
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
6CXD
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BU of 6cxd by Molmil
Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution
Descriptor: Peptidase B, SULFATE ION
Authors:Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-04-02
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 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
4M8M
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BU of 4m8m by Molmil
Crystal structure of the active dimer of zebrafish PlexinC1 cytoplasmic region
Descriptor: GCN4 coiled-coil fused zebrafish PlexinC1
Authors:Wang, Y, Pascoe, H.G, Zhang, X.
Deposit date:2013-08-13
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.307 Å)
Cite:Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
4MEX
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BU of 4mex by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with salinamide A
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H.
Deposit date:2013-08-27
Release date:2014-05-21
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (3.902 Å)
Cite:Transcription inhibition by the depsipeptide antibiotic salinamide A.
Elife, 3, 2014
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
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
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
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
6TV1
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BU of 6tv1 by Molmil
ATPase domain D3 of the EssC coupling protein from S. aureus USA300
Descriptor: EssC protein, GLYCEROL
Authors:Mietrach, N.A, Geibel, S.
Deposit date:2020-01-08
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Interaction with the EssC Coupling Protein of the Type VIIb Secretion System.
J.Bacteriol., 202, 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
4NM7
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BU of 4nm7 by Molmil
Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
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

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PDB entries from 2024-10-09

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