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4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
6WYS
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BU of 6wys by Molmil
Lon protease proteolytic domain
Descriptor: Lon protease homolog, mitochondrial, SULFATE ION
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-13
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.229 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6WZV
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BU of 6wzv by Molmil
Lon protease proteolytic domain
Descriptor: Lon protease homolog, mitochondrial, N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-14
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X27
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BU of 6x27 by Molmil
Lon protease proteolytic domain complexed with bortezomib
Descriptor: GLYCEROL, Lon protease homolog, mitochondrial, ...
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-20
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6X1M
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BU of 6x1m by Molmil
Lon protease proteolytic domain complexed with covalent boronic acid inhibitor
Descriptor: Lon protease homolog, mitochondrial, [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
Authors:Lee, C.C, Spraggon, G.
Deposit date:2020-05-19
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Structure-Based Design of Selective LONP1 Inhibitors for Probing In Vitro Biology.
J.Med.Chem., 64, 2021
6XNN
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BU of 6xnn by Molmil
Crystal Structure of Mouse STING CTD complex with SR-717.
Descriptor: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
6XNP
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BU of 6xnp by Molmil
Crystal Structure of Human STING CTD complex with SR-717
Descriptor: 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ...
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
1TIO
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BU of 1tio by Molmil
HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE
Descriptor: BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ...
Authors:Huang, Q, Zhu, G, Wang, Z, Tang, Q.
Deposit date:1998-09-17
Release date:1998-09-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane.
Biochim.Biophys.Acta, 1429, 1998
1PYM
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BU of 1pym by Molmil
PHOSPHOENOLPYRUVATE MUTASE FROM MOLLUSK IN WITH BOUND MG2-OXALATE
Descriptor: MAGNESIUM ION, OXALATE ION, PROTEIN (PHOSPHOENOLPYRUVATE MUTASE)
Authors:Huang, K, Li, Z, Herzberg, O.
Deposit date:1999-02-25
Release date:1999-07-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Helix swapping between two alpha/beta barrels: crystal structure of phosphoenolpyruvate mutase with bound Mg(2+)-oxalate.
Structure Fold.Des., 7, 1999
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
3LCT
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BU of 3lct by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALK tyrosine kinase receptor, GLYCEROL
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-22
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
3O17
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BU of 3o17 by Molmil
Crystal Structure of JNK1-alpha1 isoform
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-20
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
3L9P
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BU of 3l9p by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: Anaplastic lymphoma kinase, GLYCEROL
Authors:Lee, C.
Deposit date:2010-01-05
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
7Y0I
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BU of 7y0i by Molmil
Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
Descriptor: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
Authors:Yu, M, Zeng, L.
Deposit date:2022-06-05
Release date:2022-10-12
Method:SOLUTION NMR
Cite:Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
7WEF
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BU of 7wef by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv289
Descriptor: Spike protein S1, The heavy chain of Fab XGv289, The light chain of Fab XGv289
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE9
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BU of 7we9 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WLC
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BU of 7wlc by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv282
Descriptor: Heavy chain of XGv282, Light chain of XGv282, Spike protein S1
Authors:Wang, X, Wang, L.
Deposit date:2022-01-13
Release date:2022-04-13
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WED
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BU of 7wed by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab XGv347
Descriptor: Spike protein S1, The heavy chain of Fab XGv347, The light chain of Fab XGv347
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEA
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BU of 7wea by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with two XGv347 binding to one close state RBD and one open state RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WEC
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BU of 7wec by Molmil
SARS-CoV-2 Omicron variant spike protein with three XGv347 Fabs binding to three closed state RBDs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
7WE8
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BU of 7we8 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 265, ...
Authors:Wang, X, Wang, L.
Deposit date:2021-12-23
Release date:2022-05-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022

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