2XN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xn5 by Molmil](/molmil-images/mine/2xn5) | Crystal structure of thyroxine-binding globulin complexed with Furosemide | Descriptor: | 1,2-ETHANEDIOL, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, CALCIUM ION, ... | Authors: | Qi, X, Yan, Y, Wei, Z, Zhou, A. | Deposit date: | 2010-07-30 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins. J.Biol.Chem., 286, 2011
|
|
2XN3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xn3 by Molmil](/molmil-images/mine/2xn3) | Crystal structure of thyroxine-binding globulin complexed with mefenamic acid | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, THYROXINE-BINDING GLOBULIN | Authors: | Qi, X, Yan, Y, Wei, Z, Zhou, A. | Deposit date: | 2010-07-30 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins. J.Biol.Chem., 286, 2011
|
|
5INW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5inw by Molmil](/molmil-images/mine/5inw) | Structure of reaction loop cleaved lamprey angiotensinogen | Descriptor: | C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION | Authors: | Wei, H, Zhou, A. | Deposit date: | 2016-03-08 | Release date: | 2016-10-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism J.Biol.Chem., 291, 2016
|
|
6RPJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rpj by Molmil](/molmil-images/mine/6rpj) | |
6RP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rp8 by Molmil](/molmil-images/mine/6rp8) | |
6RQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rqm by Molmil](/molmil-images/mine/6rqm) | |
6XY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xy2 by Molmil](/molmil-images/mine/6xy2) | Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ... | Authors: | Gao, H, Zhou, A. | Deposit date: | 2020-01-29 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody. Cell Discov, 6, 2020
|
|
4C41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c41 by Molmil](/molmil-images/mine/4c41) | |
5FQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fql by Molmil](/molmil-images/mine/5fql) | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | Deposit date: | 2015-12-11 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase. Nat Commun, 8, 2017
|
|
7M42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7m42 by Molmil](/molmil-images/mine/7m42) | Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989 | Descriptor: | REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ... | Authors: | Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C. | Deposit date: | 2021-03-19 | Release date: | 2021-07-28 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies. Cell, 184, 2021
|
|
3COH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3coh by Molmil](/molmil-images/mine/3coh) | Crystal structure of Aurora-A in complex with a pentacyclic inhibitor | Descriptor: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Raswson, T.E, Cochran, A.G. | Deposit date: | 2008-03-28 | Release date: | 2009-02-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51, 2008
|
|
5WA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wa8 by Molmil](/molmil-images/mine/5wa8) | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex | Descriptor: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~{S})-1-methoxy-1-oxidanylidene-propan-2-yl]phosphonamidic acid | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2017-06-26 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
|
|
5IXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ixs by Molmil](/molmil-images/mine/5ixs) | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
|
|
5IXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ixy by Molmil](/molmil-images/mine/5ixy) | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Chen, Z, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
|
|
5K4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
|
|
5KLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5klz by Molmil](/molmil-images/mine/5klz) | |
5KM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km4 by Molmil](/molmil-images/mine/5km4) | |
5KM5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km5 by Molmil](/molmil-images/mine/5km5) | Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex | Descriptor: | 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, CHLORIDE ION, Histidine triad nucleotide-binding protein 2, ... | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
|
|
5KM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km9 by Molmil](/molmil-images/mine/5km9) | |
5KM3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km3 by Molmil](/molmil-images/mine/5km3) | |
5KM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km1 by Molmil](/molmil-images/mine/5km1) | |
5KMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kma by Molmil](/molmil-images/mine/5kma) | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Trp phosphoramidate substrate complex | Descriptor: | CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
|
|
5K4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | Descriptor: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | Authors: | Yin, J, Wang, W. | Deposit date: | 2016-05-20 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
|
|
5KM2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km2 by Molmil](/molmil-images/mine/5km2) | |
5KM8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5km8 by Molmil](/molmil-images/mine/5km8) | Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex | Descriptor: | ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Maize, K.M, Finzel, B.C. | Deposit date: | 2016-06-26 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides. Mol. Pharm., 14, 2017
|
|