1Y9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y9d by Molmil](/molmil-images/mine/1y9d) | Pyruvate Oxidase variant V265A from Lactobacillus plantarum | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Pyruvate oxidase, ... | Authors: | Wille, G, Ritter, M, Weiss, M.S, Konig, S, Mantele, W, Hubner, G. | Deposit date: | 2004-12-15 | Release date: | 2005-04-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The role of Val-265 for Flavin Adenine Dinulceotide (FAD) binding in pyruvate oxidase: FTIR, kinetic and crystallographic studies on the enzyme variant V265A Biochemistry, 44, 2005
|
|
7FEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7feh by Molmil](/molmil-images/mine/7feh) | Crystal structure of human DDR1 in complex with CH5541127 | Descriptor: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | Authors: | Fukami, T.A, Kadono, S, Matsuura, T. | Deposit date: | 2021-07-20 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Novel potent and highly selective DDR1 inhibitors from integrated lead finding Medicinal Chemistry Research, 32, 2023
|
|
7NY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ny0 by Molmil](/molmil-images/mine/7ny0) | |
1ZYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zyi by Molmil](/molmil-images/mine/1zyi) | Solution structure of ICLN, a multifunctional protein involved in regulatory mechanisms as different as cell volume regulation and rna splicing | Descriptor: | Methylosome subunit pICln | Authors: | Fuerst, J, Schedlbauer, A, Gandini, R, Garavaglia, M.L, Siano, S, Gschwentner, M, Sarg, B, Kontaxis, G, Konrat, R, Paulmichl, M. | Deposit date: | 2005-06-10 | Release date: | 2005-06-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | ICln159 folds into a pleckstrin homology domain-like structure. Interaction with kinases and the splicing factor LSm4 J.Biol.Chem., 280, 2005
|
|
6FER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fer by Molmil](/molmil-images/mine/6fer) | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | Descriptor: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fil by Molmil](/molmil-images/mine/6fil) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fex by Molmil](/molmil-images/mine/6fex) | DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4% | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ... | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FIN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fin by Molmil](/molmil-images/mine/6fin) | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8% | Descriptor: | 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FIQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fiq by Molmil](/molmil-images/mine/6fiq) | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8% | Descriptor: | 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6few by Molmil](/molmil-images/mine/6few) | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1% | Descriptor: | 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-03 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
6FIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fio by Molmil](/molmil-images/mine/6fio) | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7% | Descriptor: | 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1 | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | Deposit date: | 2018-01-19 | Release date: | 2018-11-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
|
|
4YGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ygv by Molmil](/molmil-images/mine/4ygv) | Reversal Agent for Dabigatran | Descriptor: | GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-26 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhm by Molmil](/molmil-images/mine/4yhm) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2b heavy chain, aDabi-Fab2b light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhi by Molmil](/molmil-images/mine/4yhi) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhn by Molmil](/molmil-images/mine/4yhn) | Dabigatran Reversal Agent | Descriptor: | aDabi-Fab3 heavy chain, aDabi-Fab3 light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yho by Molmil](/molmil-images/mine/4yho) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab3 heavy chain, aDabi-Fab3 light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhk by Molmil](/molmil-images/mine/4yhk) | Reversal Agent for Dabigatran | Descriptor: | GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ... | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
4YHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yhl by Molmil](/molmil-images/mine/4yhl) | Reversal Agent for Dabigatran | Descriptor: | aDabi-Fab2b heavy chain, aDabi-Fab2b light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
|
|
1E7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e7p by Molmil](/molmil-images/mine/1e7p) | QUINOL:FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Lancaster, C.R.D, Kroeger, A. | Deposit date: | 2000-09-01 | Release date: | 2001-04-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Third Crystal Form of Wolinella Succinogenes Quinol:Fumarate Reductase Reveals Domain Closure at the Site of Fumarate Reduction Eur.J.Biochem., 268, 2001
|
|
2BS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bs2 by Molmil](/molmil-images/mine/2bs2) | QUINOL:FUMARATE REDUCTASE FROM WOLINELLA SUCCINOGENES | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Lancaster, C.R.D. | Deposit date: | 2005-05-14 | Release date: | 2006-10-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Evidence for Transmembrane Proton Transfer in a Dihaem-Containing Membrane Protein Complex. Embo J., 25, 2006
|
|
2BS3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bs3 by Molmil](/molmil-images/mine/2bs3) | |
2BS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bs4 by Molmil](/molmil-images/mine/2bs4) | GLU C180 -> ILE VARIANT QUINOL:FUMARATE REDUCTASE FROMWOLINELLA SUCCINOGENES | Descriptor: | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE, CITRIC ACID, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Lancaster, C.R.D. | Deposit date: | 2005-05-14 | Release date: | 2005-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Experimental Support for the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
5APG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5apg by Molmil](/molmil-images/mine/5apg) | Structure of the SAM-dependent rRNA:acp-transferase Tsr3 from Vulcanisaeta distributa | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TSR3, [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium | Authors: | Wurm, J.P, Immer, C, Pogoryelov, D, Meyer, B, Koetter, P, Entian, K.-D, Woehnert, J. | Deposit date: | 2015-09-15 | Release date: | 2016-04-27 | Last modified: | 2016-06-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans Nucleic Acids Res., 44, 2016
|
|
5AP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ap8 by Molmil](/molmil-images/mine/5ap8) | Structure of the SAM-dependent rRNA:acp-transferase Tsr3 from S. solfataricus | Descriptor: | TSR3 | Authors: | Wurm, J.P, Immer, C, Pogoryelov, D, Meyer, B, Koetter, P, Entian, K.-D, Woehnert, J. | Deposit date: | 2015-09-14 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Ribosome Biogenesis Factor Tsr3 is the Aminocarboxypropyl Transferase Responsible for 18S Rrna Hypermodification in Yeast and Humans Nucleic Acids Res., 44, 2016
|
|