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4XJL
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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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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
8GOC
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R
Descriptor: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-24
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GO8
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BU of 8go8 by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
Descriptor: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-24
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8H3I
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BU of 8h3i by Molmil
Crystal Structure of the apo-form Pathogenesis-related Protein HcPR10 from Halostachys caspica
Descriptor: PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development
Front Plant Sci, 14, 2023
8GOO
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
Descriptor: Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-25
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8GP3
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BU of 8gp3 by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4
Descriptor: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-25
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8H3J
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BU of 8h3j by Molmil
Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
Descriptor: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development
Front Plant Sci, 14, 2023
8I0N
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BU of 8i0n by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
Descriptor: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I10
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Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R (Local refine)
Descriptor: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-12
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I0Z
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BU of 8i0z by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1 (Local refine)
Descriptor: Beta-arrestin-2, C5a anaphylatoxin chemotactic receptor 1, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-12
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (4.33 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8I0Q
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BU of 8i0q by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine)
Descriptor: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Structure of beta-arrestin in complex with a phosphopeptide
Mol.Cell, 2023
8HPT
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BU of 8hpt by Molmil
Structure of C5a-pep bound mouse C5aR1 in complex with Go
Descriptor: Antibody fragment ScFv16, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2022-12-13
Release date:2023-10-18
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structure of a GPCR-G protein in complex with a synthetic peptide agonist
Cell(Cambridge,Mass.), 2023
8HQC
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BU of 8hqc by Molmil
Structure of a GPCR-G protein in complex with a natural peptide agonist
Descriptor: Antibody fragment, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K.
Deposit date:2022-12-13
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structure of a GPCR-G protein in complex with a synthetic peptide agonist
Cell(Cambridge,Mass.), 2023
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
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
7ZKS
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BU of 7zks by Molmil
SRPK1 IN COMPLEX WITH INHIBITOR
Descriptor: CHLORIDE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, SRSF protein kinase 1
Authors:Graedler, U.
Deposit date:2022-04-13
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 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
4WA1
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BU of 4wa1 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals
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:2023-09-27
Method:X-RAY DIFFRACTION (1.898 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
4WA3
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BU of 4wa3 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NICKEL (II) ION, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.801 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
4WAT
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BU of 4wat by Molmil
Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMIDAZOLE, PfRh5
Authors:Chen, L.
Deposit date:2014-09-01
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes.
Elife, 3, 2014
4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
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 (1.95 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
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
Descriptor: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
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 (1.95 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
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
Descriptor: Dispase autolysis-inducing protein, Thermolysin
Authors:Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
Deposit date:2018-01-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
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

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