7LFB
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![BU of 7lfb by Molmil](/molmil-images/mine/7lfb) | Fab 7D6 bound to ApoL1 NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Apolipoprotein L1, Fab 7D6 heavy chain, ... | Authors: | Ultsch, M, Kirchhofer, D. | Deposit date: | 2021-01-16 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.913 Å) | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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7LF7
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![BU of 7lf7 by Molmil](/molmil-images/mine/7lf7) | Fab 6D12 bound to ApoL1 NTD | Descriptor: | Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ... | Authors: | Ultsch, M, Kirchhofer, D. | Deposit date: | 2021-01-15 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.026 Å) | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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7LF8
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![BU of 7lf8 by Molmil](/molmil-images/mine/7lf8) | Fab 6D12 bound to ApoL2 NTD | Descriptor: | Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ... | Authors: | Ultsch, M, Kirchhofer, D. | Deposit date: | 2021-01-15 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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7LFD
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![BU of 7lfd by Molmil](/molmil-images/mine/7lfd) | Fab 7D6 bound to ApoL1 BH3 like peptide | Descriptor: | AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ... | Authors: | Ultsch, M, Kirchhofer, D. | Deposit date: | 2021-01-16 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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7LFA
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![BU of 7lfa by Molmil](/molmil-images/mine/7lfa) | Fab 3B6 bound to ApoL1 NTD | Descriptor: | Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ... | Authors: | Ultsch, M, Kirchhofer, D. | Deposit date: | 2021-01-15 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.857 Å) | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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5VZY
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![BU of 5vzy by Molmil](/molmil-images/mine/5vzy) | Crystal structure of crenezumab Fab in complex with Abeta | Descriptor: | Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain | Authors: | Ultsch, M, Wang, W. | Deposit date: | 2017-05-29 | Release date: | 2017-08-09 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin. Sci Rep, 6, 2016
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5VZX
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![BU of 5vzx by Molmil](/molmil-images/mine/5vzx) | Crystal structure of crenezumab Fab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Crenezumab Fab heavy chain, ... | Authors: | Ultsch, M, Wang, W. | Deposit date: | 2017-05-29 | Release date: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin. Sci Rep, 6, 2016
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7L6K
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![BU of 7l6k by Molmil](/molmil-images/mine/7l6k) | ApoL1 N-terminal domain | Descriptor: | Apolipoprotein L1 | Authors: | Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D. | Deposit date: | 2020-12-23 | Release date: | 2021-08-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif. Commun Biol, 4, 2021
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5IXS
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![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
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5HEZ
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![BU of 5hez by Molmil](/molmil-images/mine/5hez) | JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 | Descriptor: | CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-01-06 | Release date: | 2016-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity. Sci Transl Med, 8, 2016
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6BB1
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![BU of 6bb1 by Molmil](/molmil-images/mine/6bb1) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BB2
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![BU of 6bb2 by Molmil](/molmil-images/mine/6bb2) | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2S)-5-[(2-chlorophenyl)sulfanyl]-6'-(4-fluorophenoxy)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, L-lactate dehydrogenase A chain, LACTIC ACID, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BAG
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![BU of 6bag by Molmil](/molmil-images/mine/6bag) | Lactate Dehydrogenase in complex with inhibitor (R)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (2R)-5-[(2-chlorophenyl)sulfanyl]-6'-[(4-fluorophenyl)amino]-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro[2,2'-bipyridin]-6(1H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-12 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BB0
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![BU of 6bb0 by Molmil](/molmil-images/mine/6bb0) | |
6BAZ
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![BU of 6baz by Molmil](/molmil-images/mine/6baz) | Lactate Dehydrogenase in complex with inhibitor (S)-5-((2-chlorophenyl)thio)-6'-((4-fluorophenyl)amino)-4-hydroxy-2-(thiophen-3-yl)-2,3-dihydro-[2,2'-bipyridin]-6(1H)-one | Descriptor: | (3S,6S)-3-[(2-chlorophenyl)sulfanyl]-6-{6-[(4-fluorophenyl)amino]pyridin-2-yl}-6-(thiophen-3-yl)piperidine-2,4-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, L-lactate dehydrogenase A chain, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2017-10-16 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided optimization and in vivo activities of hydroxylactone and hydroxylactam Inhibitors of Human Lactate Dehydrogenase To Be Published
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6BAD
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![BU of 6bad by Molmil](/molmil-images/mine/6bad) | |
6BAX
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![BU of 6bax by Molmil](/molmil-images/mine/6bax) | |
4I77
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![BU of 4i77 by Molmil](/molmil-images/mine/4i77) | Lebrikizumab Fab bound to IL-13 | Descriptor: | Interleukin-13, Lebrikizumab heavy chain, Lebrikizumab light chain | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2012-11-30 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis of Signaling Blockade by Anti-IL-13 Antibody Lebrikizumab. J.Mol.Biol., 425, 2013
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7SJO
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![BU of 7sjo by Molmil](/molmil-images/mine/7sjo) | HtrA1S328A:Fab15H6.v4 complex | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.3 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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7SJN
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![BU of 7sjn by Molmil](/molmil-images/mine/7sjn) | HtrA1:Fab15H6.v4 complex | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.4 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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3HHR
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![BU of 3hhr by Molmil](/molmil-images/mine/3hhr) | |
3V01
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![BU of 3v01 by Molmil](/molmil-images/mine/3v01) | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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3V04
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![BU of 3v04 by Molmil](/molmil-images/mine/3v04) | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | Descriptor: | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | Deposit date: | 2011-12-07 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions. J.Med.Chem., 55, 2012
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3NZ0
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![BU of 3nz0 by Molmil](/molmil-images/mine/3nz0) | Non-phosphorylated TYK2 kinase with CMP6 | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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3NYX
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![BU of 3nyx by Molmil](/molmil-images/mine/3nyx) | Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2010-07-15 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A new regulatory switch in a JAK protein kinase. Proteins, 79, 2011
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