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6PMA
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BU of 6pma by Molmil
TRK-A IN COMPLEX WITH LIGAND
Descriptor: High affinity nerve growth factor receptor, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-07-01
Release date:2020-02-26
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6PL1
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BU of 6pl1 by Molmil
TRK-A IN COMPLEX WITH LIGAND 1B
Descriptor: High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-10-09
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification and characterization of hTrkA type 2 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
6PMB
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BU of 6pmb by Molmil
TRK-A IN COMPLEX WITH LIGAND 1a
Descriptor: 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, High affinity nerve growth factor receptor
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-07-01
Release date:2020-02-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6PL2
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BU of 6pl2 by Molmil
TRK-A IN COMPLEX WITH LIGAND 1a
Descriptor: High affinity nerve growth factor receptor, N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-09-04
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
6PL4
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BU of 6pl4 by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: High affinity nerve growth factor receptor, N-{[5-(methoxymethyl)-2-(trifluoromethoxy)phenyl]methyl}-N'-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)urea
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-06-30
Release date:2020-07-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:In Pursuit of an Allosteric Human Tropomyosin Kinase A (hTrkA) Inhibitor for Chronic Pain
Acs Med.Chem.Lett., 2021
6PME
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BU of 6pme by Molmil
TRK-A IN COMPLEX WITH LIGAND
Descriptor: High affinity nerve growth factor receptor, N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide, S,R MESO-TARTARIC ACID, ...
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-07-01
Release date:2020-02-26
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6PL3
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BU of 6pl3 by Molmil
TRK-A IN COMPLEX WITH LIGAND 2a
Descriptor: 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate, High affinity nerve growth factor receptor
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
6PMC
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BU of 6pmc by Molmil
TRK-A IN COMPLEX WITH LIGAND 1a
Descriptor: High affinity nerve growth factor receptor, N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-07-01
Release date:2020-02-26
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Synthetic inhibitor leads of human tropomyosin receptor kinase A ( h TrkA).
Rsc Med Chem, 11, 2020
6NSP
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BU of 6nsp by Molmil
TRK-A IN COMPLEX WITH LIGAND 9
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NSS
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BU of 6nss by Molmil
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor: High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G, Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NPT
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BU of 6npt by Molmil
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor: 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, High affinity nerve growth factor receptor
Authors:Subramanian, G.
Deposit date:2019-01-18
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
5UVI
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BU of 5uvi by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
Authors:Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVJ
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BU of 5uvj by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVK
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BU of 5uvk by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
Iucrj, 4, 2017
5UVL
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BU of 5uvl by Molmil
Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
6MH6
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BU of 6mh6 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source.
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
6MH8
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BU of 6mh8 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct
Authors:Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
5HD3
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BU of 5hd3 by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: Dark structure of photoactive yellow protein
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDC
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BU of 5hdc by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 100 fs to 400 fs Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDD
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BU of 5hdd by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 800 fs to 1200 fs Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDS
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BU of 5hds by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 3 ps Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HD5
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BU of 5hd5 by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 200 ns time delay photo-activated (light) structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
Descriptor: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
Descriptor: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016

 

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