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4W4X
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BU of 4w4x by Molmil
JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
4RCX
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BU of 4rcx by Molmil
Trichomonas vaginalis triosephosphate isomerase TVAG_497370 gene (Ile-45 variant) loop 3 deletion protein
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Lara-Gonzalez, S, Jimenez-Sandoval, P, Estrella-Hernandez, P, Brieba, L.G.
Deposit date:2014-09-17
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Trichomonas vaginalis triosephosphate isomerase loop 3 deletion protein
To be Published
4W4W
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BU of 4w4w by Molmil
JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide
Descriptor: N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide, c-Jun N-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
4W4V
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BU of 4w4v by Molmil
JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
4W4Y
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BU of 4w4y by Molmil
JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide
Descriptor: 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3
Authors:Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P.
Deposit date:2014-08-15
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
4O53
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BU of 4o53 by Molmil
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Leu mutant (Tvag_497370)
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Lara-Gonzalez, S, Montero-Moran, G.M, Estrella-Hernandez, P, Benitez-Cardoza, C.G, Brieba, L.G.
Deposit date:2013-12-19
Release date:2014-12-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering mutants with altered dimer-monomer equilibrium reveal the existence of stable monomeric Triosephosphate isomerases
To be Published
4O57
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BU of 4o57 by Molmil
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Ile45-Tyr mutant (Tvag_497370)
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Lara-Gonzalez, S, Estrella-Hernandez, P, Montero-Moran, G.M, Benitez-Cardoza, C.G, Brieba, L.G.
Deposit date:2013-12-19
Release date:2014-12-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:Engineering mutants with altered dimer-monomer equilibrium reveal the existence of stable monomeric Triosephosphate isomerases
To be Published
4JQL
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BU of 4jql by Molmil
Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams from Shikimic Acid
Descriptor: Heat shock protein HSP 90-alpha, MAGNESIUM ION, valerjesomycin
Authors:Jeso, V, Iqbal, S, Hernandez, P, Cameron, M.D, Park, H, Lograsso, P.V, Micalizio, G.C.
Deposit date:2013-03-20
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Synthesis of benzoquinone ansamycin-inspired macrocyclic lactams from shikimic Acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7M7W
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BU of 7m7w by Molmil
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal antibody S2H97 Fab heavy chain, Monoclonal antibody S2H97 Fab light chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-03-29
Release date:2021-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
5VWN
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BU of 5vwn by Molmil
Triosephosphate isomerases deletion loop 3 from Trichomonas vaginalis
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Lara-Gonzalez, S, Rojas-Mendez, K, Jimenez-Sandoval, P, Estrella-Hernandez, P, Brieba, L.G.
Deposit date:2017-05-22
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A competent catalytic active site is necessary for substrate induced dimer assembly in triosephosphate isomerase.
Biochim. Biophys. Acta, 1865, 2017
4WHZ
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BU of 4whz by Molmil
Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives
Descriptor: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.
Deposit date:2014-09-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives.
J.Med.Chem., 57, 2014
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-11
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4Y46
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BU of 4y46 by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-25
Release date:2021-07-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021

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