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PDB: 759 results

2M2R
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Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia
Descriptor: Inhibitor cystine knot peptide MCh-2
Authors:He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
Deposit date:2013-01-01
Release date:2013-11-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
2M2Q
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Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia
Descriptor: Inhibitor cystine knot peptide MCh-1
Authors:He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N.
Deposit date:2013-01-01
Release date:2013-11-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
5A1Z
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BU of 5a1z by Molmil
Cryo-EM structure of Dengue virus serotype 2 strain PVP94-07 complexed with human antibody 2D22 Fab at 37 degrees C
Descriptor: ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, ENVELOPE PROTEIN, ...
Authors:Fibriansah, G, Ibarra, K.D, Ng, T.S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Jr, J.E, Lok, S.M.
Deposit date:2015-05-06
Release date:2015-07-15
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers.
Science, 349, 2015
4CXY
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BU of 4cxy by Molmil
Crystal structure of human FTO in complex with acylhydrazine inhibitor 21
Descriptor: (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXX
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Crystal structure of human FTO in complex with acylhydrazine inhibitor 16
Descriptor: (2E)-4-{N'-[4-(4-tert-Butyl-benzyl)-pyridine-3-carbonyl]-hydrazino}-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
4CXW
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Crystal structure of human FTO in complex with subfamily-selective inhibitor 12
Descriptor: (2E)-4-[N'-(4-benzyl-pyridine-3-carbonyl)-hydrazino]-4-oxo-but-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION
Authors:Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G.
Deposit date:2014-04-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
Deposit date:2010-07-28
Release date:2011-08-10
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Descriptor: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
Descriptor: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Descriptor: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2014-11-11
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
5A9Z
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BU of 5a9z by Molmil
Complex of Thermous thermophilus ribosome bound to BipA-GDPCP
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Kumar, V, Chen, Y, Ahmed, T, Tan, J, Ero, R, Bhushan, S, Gao, Y.-G.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5AA0
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BU of 5aa0 by Molmil
Complex of Thermous thermophilus ribosome (A-and P-site tRNA) bound to BipA-GDPCP
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Kumar, V, Chen, Y, Ahmed, T, Tan, J, Ero, R, Bhushan, S, Gao, Y.-G.
Deposit date:2015-07-23
Release date:2015-10-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
4X0U
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BU of 4x0u by Molmil
Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde
Descriptor: 4-(diethylamino)benzaldehyde, Alpha-aminoadipic semialdehyde dehydrogenase, MAGNESIUM ION
Authors:Luo, M, Tanner, J.J.
Deposit date:2014-11-23
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1.
Acs Chem.Biol., 10, 2015
4X0T
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BU of 4x0t by Molmil
Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+
Descriptor: 4-(diethylamino)benzaldehyde, Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Luo, M, Tanner, J.J.
Deposit date:2014-11-23
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1.
Acs Chem.Biol., 10, 2015
4C2I
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BU of 4c2i by Molmil
Cryo-EM structure of Dengue virus serotype 1 complexed with Fab fragments of human antibody 1F4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Fibriansah, G, Tan, J.L, de Alwis, R, Smith, S.A, Ng, T.-S, Kostyuchenko, V.A, Ibarra, K.D, Harris, E, de Silva, A, Crowe Junior, J.E, Lok, S.-M.
Deposit date:2013-08-18
Release date:2014-01-29
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A Potent Anti-Dengue Human Antibody Preferentially Recognizes the Conformation of E Protein Monomers Assembled on the Virus Surface.
Embo Mol.Med., 6, 2014
4X32
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BU of 4x32 by Molmil
Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant.
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Standfuss, J.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
4X31
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Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
4CCT
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BU of 4cct by Molmil
Dengue 1 cryo-EM reconstruction
Descriptor: DENGUE VIRUS 1 E PROTEIN, DENGUE VIRUS 1 M PROTEIN
Authors:Kostyuchenko, V.A, Zhang, Q, Tan, J.L, Ng, T.S, Lok, S.M.
Deposit date:2013-10-28
Release date:2013-11-06
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Immature and Mature Dengue Serotype 1 Virus Structures Provide Insight Into the Maturation Process.
J.Virol., 87, 2013
4PXQ
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BU of 4pxq by Molmil
Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, D-glucuronyl C5 epimerase B
Authors:Ke, J, Qin, Y, Gu, X, Tan, J, Brunzelle, J.S, Xu, H.E, Ding, K.
Deposit date:2014-03-24
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
7Y7Y
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BU of 7y7y by Molmil
Cryo-EM structure of human GABA transporter GAT1 bound with nipecotic acid in NaCl solution in an inward-occluded state at 2.4 angstrom
Descriptor: (3R)-piperidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7Y7W
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Cryo-EM structure of human GABA transporter GAT1 bound with GABA in NaCl solution in an inward-occluded state at 2.4 angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7Y7Z
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Cryo-EM structure of human GABA transporter GAT1 bound with tiagabine in NaCl solution in an inward-open state at 3.2 angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1, ...
Authors:Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
7Y7V
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BU of 7y7v by Molmil
Cryo-EM structure of human apo GABA transporter GAT1 in an inward-open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Sodium- and chloride-dependent GABA transporter 1
Authors:Zhu, A, Huang, J, Kong, F, Tan, J, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-06-22
Release date:2023-04-26
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Molecular basis for substrate recognition and transport of human GABA transporter GAT1.
Nat.Struct.Mol.Biol., 30, 2023
2KYC
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solution structure of Ca-free chicken parvalbumin 3 (CPV3)
Descriptor: Parvalbumin, thymic CPV3
Authors:Henzl, N.T, Tanner, J.J, Tan, A.
Deposit date:2010-05-23
Release date:2011-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of chicken parvalbumin 3 in the Ca(2+) -free and Ca(2+) -bound states.
Proteins, 79, 2011
2KYF
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BU of 2kyf by Molmil
solution structure of calcium-bound CPV3
Descriptor: CALCIUM ION, Parvalbumin, thymic CPV3
Authors:Henzl, M.T, Tanner, J.J, Tan, A.
Deposit date:2010-05-25
Release date:2011-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states.
Proteins, 79, 2011

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