1BHT
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![BU of 1bht by Molmil](/molmil-images/mine/1bht) | NK1 FRAGMENT OF HUMAN HEPATOCYTE GROWTH FACTOR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR, SULFATE ION | Authors: | Ultsch, M.H, Lokker, N.A, Godowski, P.J, De Vos, A.M. | Deposit date: | 1998-06-10 | Release date: | 1998-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the NK1 fragment of human hepatocyte growth factor at 2.0 A resolution. Structure, 6, 1998
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6VVU
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![BU of 6vvu by Molmil](/molmil-images/mine/6vvu) | Anti-Tryptase fab E104.v1 bound to tryptase | Descriptor: | CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ... | Authors: | Ultsch, M, Koerber, J.T. | Deposit date: | 2020-02-18 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge. Nat Commun, 11, 2020
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4PRJ
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1D0G
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![BU of 1d0g by Molmil](/molmil-images/mine/1d0g) | CRYSTAL STRUCTURE OF DEATH RECEPTOR 5 (DR5) BOUND TO APO2L/TRAIL | Descriptor: | APOPTOSIS-2 LIGAND, CHLORIDE ION, DEATH RECEPTOR-5, ... | Authors: | Hymowitz, S.G, Christinger, H.W, Fuh, G, O'Connell, M.P, Kelley, R.F, Ashkenazi, A, de Vos, A.M. | Deposit date: | 1999-09-09 | Release date: | 1999-10-22 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Triggering cell death: the crystal structure of Apo2L/TRAIL in a complex with death receptor 5. Mol.Cell, 4, 1999
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3DBS
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![BU of 3dbs by Molmil](/molmil-images/mine/3dbs) | Structure of PI3K gamma in complex with GDC0941 | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Wiesmann, C, Ultsch, M. | Deposit date: | 2008-06-02 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer J.Med.Chem., 51, 2008
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6U3I
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6U2F
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![BU of 6u2f by Molmil](/molmil-images/mine/6u2f) | |
3MZW
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![BU of 3mzw by Molmil](/molmil-images/mine/3mzw) | HER2 extracelluar region with affinity matured 3-helix affibody ZHER2:342 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin G-binding protein A, ... | Authors: | Eigenbrot, C, Ultsch, M.H. | Deposit date: | 2010-05-13 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for high-affinity HER2 receptor binding by an engineered protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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4U81
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![BU of 4u81 by Molmil](/molmil-images/mine/4u81) | MEK1 Kinase bound to small molecule inhibitor G659 | Descriptor: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U80
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![BU of 4u80 by Molmil](/molmil-images/mine/4u80) | MEK 1 kinase bound to G799 | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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4U7Z
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![BU of 4u7z by Molmil](/molmil-images/mine/4u7z) | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | Deposit date: | 2014-07-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg.Med.Chem.Lett., 24, 2014
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3HR5
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4LMN
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![BU of 4lmn by Molmil](/molmil-images/mine/4lmn) | Crystal Structure of MEK1 kinase bound to GDC0973 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ultsch, M.H. | Deposit date: | 2013-07-10 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers. Nature, 501, 2013
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7SJP
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![BU of 7sjp by Molmil](/molmil-images/mine/7sjp) | anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide | Descriptor: | GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ... | Authors: | Ultsch, M.H, Gerhardy, S. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
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7SJM
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![BU of 7sjm by Molmil](/molmil-images/mine/7sjm) | anti-HtrA1 Fab15H6.v4 | Descriptor: | GLYCEROL, Heavy Chain, Light Chain, ... | Authors: | Ultsch, M.H, Gerhardy, S. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
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4RLS
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![BU of 4rls by Molmil](/molmil-images/mine/4rls) | Lactate Dehydrogenase in complex with inhibitor compound 47 | Descriptor: | (1R)-5'-[(2-chlorophenyl)sulfanyl]-4'-hydroxy-2,3-dihydrospiro[indene-1,2'-pyran]-6'(3'H)-one, (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Eigenbrot, C, Ultsch, M.H. | Deposit date: | 2014-10-17 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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6OKN
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![BU of 6okn by Molmil](/molmil-images/mine/6okn) | OX40R (TNFRSF4) bound to Fab 1A7 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab 1A7 heavy chain, Fab 1A7 light chain, ... | Authors: | Ultsch, M.H, Boenig, G, Harris, S.F. | Deposit date: | 2019-04-14 | Release date: | 2019-07-10 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members. Mabs, 11, 2019
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6OGX
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![BU of 6ogx by Molmil](/molmil-images/mine/6ogx) | Ternary complex of OX40R (TNFRSF4) bound to Fab1 and Fab2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1 Heavy Chain, Fab1 Light Chain, ... | Authors: | Ultsch, M.H, Boenig, G, Harris, S.F. | Deposit date: | 2019-04-03 | Release date: | 2019-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members. Mabs, 11, 2019
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6OKM
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![BU of 6okm by Molmil](/molmil-images/mine/6okm) | Human OX40R (TNFRSF4) bound to Fab 3C8 | Descriptor: | Fab 3C8 Heavy Chain, Fab 3C8 light chain, Tumor necrosis factor receptor superfamily member 4 | Authors: | Boenig, G, Ultsch, M.H, Harris, S.F. | Deposit date: | 2019-04-14 | Release date: | 2019-08-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members. Mabs, 11, 2019
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5WEV
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5WAL
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3H0Z
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![BU of 3h0z by Molmil](/molmil-images/mine/3h0z) | Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 4-{[2-({4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl}amino)-5-fluoropyrimidin-4-yl]amino}-N-(2-chlorophenyl)benzamide, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H10
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![BU of 3h10 by Molmil](/molmil-images/mine/3h10) | Aurora A inhibitor complex | Descriptor: | 9-chloro-7-(2,6-difluorophenyl)-N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-5H-pyrimido[5,4-d][2]benzazepin-2-amine, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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3H0Y
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![BU of 3h0y by Molmil](/molmil-images/mine/3h0y) | Aurora A in complex with a bisanilinopyrimidine | Descriptor: | 2-chloro-N-[4-({5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide, SULFATE ION, Serine/threonine-protein kinase 6 | Authors: | Wiesmann, C, Ultsch, M.H, Cochran, A.G. | Deposit date: | 2009-04-10 | Release date: | 2009-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. J.Med.Chem., 52, 2009
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8ETR
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![BU of 8etr by Molmil](/molmil-images/mine/8etr) | CryoEM Structure of NLRP3 NACHT domain in complex with G2394 | Descriptor: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Murray, J.M, Johnson, M.C. | Deposit date: | 2022-10-17 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor. J.Med.Chem., 65, 2022
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