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4RMW
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BU of 4rmw by Molmil
Crystal structure of the D76A Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, TRIETHYLENE GLYCOL
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
Descriptor: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
Deposit date:2015-03-29
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4TS6
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BU of 4ts6 by Molmil
Crystal structure of the RIM C2A domain from Drosophila.
Descriptor: GLYCEROL, Rab3 interacting molecule variant 2
Authors:Hatzopoulos, G.N, Shiroma, J, Vakonakis, I.
Deposit date:2014-06-18
Release date:2015-07-01
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The human cognition-enhancing CORD7 mutation increases active zone number and synaptic release.
Brain, 145, 2022
4RMU
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BU of 4rmu by Molmil
Crystal structure of the D76E Beta-2 Microglobulin mutant
Descriptor: Beta-2-microglobulin, TRIETHYLENE GLYCOL
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
4RMV
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BU of 4rmv by Molmil
Crystal structure of the D76H Beta-2 Microglobulin mutant
Descriptor: ACETATE ION, Beta-2-microglobulin, TRIETHYLENE GLYCOL
Authors:de Rosa, M, Bolognesi, M, Ricagno, S.
Deposit date:2014-10-22
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.463 Å)
Cite:Conformational dynamics in crystals reveal the molecular bases for D76N beta-2 microglobulin aggregation propensity.
Nat Commun, 9, 2018
4Z0V
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BU of 4z0v by Molmil
The structure of human PDE12 residues 161-609
Descriptor: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
Authors:Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
Deposit date:2015-03-26
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
3G5O
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BU of 3g5o by Molmil
The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2009-02-05
Release date:2009-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
6MO5
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BU of 6mo5 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50228 complex
Descriptor: MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
7DQZ
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BU of 7dqz by Molmil
Crystal structure of SARS 3C-like protease in apo form
Descriptor: 3C-like proteinase
Authors:Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
Deposit date:2020-12-24
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
6MOO
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BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
Descriptor: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
8WZ2
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BU of 8wz2 by Molmil
Structure of 26RFa-pyroglutamylated RFamide peptide receptor complex
Descriptor: G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Jin, S, Li, X, Xu, Y, Guo, S, Wu, C, Zhang, H, Yuan, Q, Xu, H.E, Xie, X, Jiang, Y.
Deposit date:2023-11-01
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Structural basis for recognition of 26RFa by the pyroglutamylated RFamide peptide receptor.
Cell Discov, 10, 2024
6MO4
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BU of 6mo4 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50067 complex
Descriptor: MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
Authors:Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOD
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BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
Descriptor: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
Authors:Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
Deposit date:2018-10-04
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
2ROG
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BU of 2rog by Molmil
Solution structure of Thermus thermophilus HB8 TTHA1718 protein in living E. coli cells
Descriptor: Heavy metal binding protein
Authors:Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2008-03-21
Release date:2009-03-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Protein structure determination in living cells by in-cell NMR spectroscopy
Nature, 458, 2009
2RJQ
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BU of 2rjq by Molmil
Crystal structure of ADAMTS5 with inhibitor bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2MLB
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BU of 2mlb by Molmil
NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
Descriptor: redesigned ubiquitin
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-02-21
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
2MN4
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BU of 2mn4 by Molmil
NMR solution structure of a computational designed protein based on structure template 1cy5
Descriptor: Computational designed protein based on structure template 1cy5
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-03-28
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
2RJP
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BU of 2rjp by Molmil
Crystal structure of ADAMTS4 with inhibitor bound
Descriptor: ADAMTS-4, CALCIUM ION, N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine, ...
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-15
Release date:2007-12-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2ROE
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BU of 2roe by Molmil
Solution structure of thermus thermophilus HB8 TTHA1718 protein in vitro
Descriptor: Heavy metal binding protein
Authors:Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2008-03-20
Release date:2009-03-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Protein structure determination in living cells by in-cell NMR spectroscopy
Nature, 458, 2009
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
Descriptor: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
Authors:Beyett, T.S, Eck, M.J.
Deposit date:2023-07-22
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
3B2Z
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BU of 3b2z by Molmil
Crystal Structure of ADAMTS4 (apo form)
Descriptor: ADAMTS-4, CALCIUM ION, ZINC ION
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-19
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
6KXA
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BU of 6kxa by Molmil
Galectin-3 CRD binds to GalA dimer
Descriptor: Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
Authors:Su, J.
Deposit date:2019-09-10
Release date:2020-08-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3.
Glycobiology, 31, 2021
7DY9
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BU of 7dy9 by Molmil
Thermotoga maritima ferritin mutant-FLAL
Descriptor: Ferritin
Authors:Zhao, G, Zhang, X.
Deposit date:2021-01-20
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021
7DY8
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BU of 7dy8 by Molmil
Thermotoga maritima ferritin mutant-FLAL
Descriptor: CALCIUM ION, FE (III) ION, Ferritin
Authors:Zhang, X, Zhao, G.
Deposit date:2021-01-20
Release date:2021-09-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Protein interface redesign facilitates the transformation of nanocage building blocks to 1D and 2D nanomaterials.
Nat Commun, 12, 2021

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數據於2024-09-11公開中

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