6FEW
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![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
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6FIO
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![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
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6FNZ
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![BU of 6fnz by Molmil](/molmil-images/mine/6fnz) | |
1Y4J
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![BU of 1y4j by Molmil](/molmil-images/mine/1y4j) | Crystal structure of the paralogue of the human formylglycine generating enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 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: | Dickmanns, A, Rudolph, M.G, Ficner, R. | Deposit date: | 2004-12-01 | Release date: | 2005-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.864 Å) | Cite: | Crystal Structure of Human pFGE, the Paralog of the C{alpha}-formylglycine-generating Enzyme J.Biol.Chem., 280, 2005
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2AFT
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![BU of 2aft by Molmil](/molmil-images/mine/2aft) | Formylglycine generating enzyme C336S mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1 | Authors: | Roeser, D, Rudolph, M.G. | Deposit date: | 2005-07-26 | Release date: | 2005-12-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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2AFY
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![BU of 2afy by Molmil](/molmil-images/mine/2afy) | Formylglycine generating enzyme C341S mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1 | Authors: | Roeser, D, Rudolph, M.G. | Deposit date: | 2005-07-26 | Release date: | 2005-12-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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2AII
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![BU of 2aii by Molmil](/molmil-images/mine/2aii) | wild-type Formylglycine generating enzyme reacted with iodoacetamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, CALCIUM ION, ... | Authors: | Roeser, D, Rudolph, M.G. | Deposit date: | 2005-07-29 | Release date: | 2005-12-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme Proc.Natl.Acad.Sci.Usa, 103, 2006
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5EZI
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![BU of 5ezi by Molmil](/molmil-images/mine/5ezi) | Crystal Structure of Fab of parasite invasion inhibitory antibody c1 - hexagonal form | Descriptor: | CHLORIDE ION, Fab c12 Light chain, Fab c12 heavy chain, ... | Authors: | Favuzza, P, Pluschke, G, Rudolph, M.G. | Deposit date: | 2015-11-26 | Release date: | 2017-01-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody. Elife, 6, 2017
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5EZJ
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![BU of 5ezj by Molmil](/molmil-images/mine/5ezj) | |
5EZO
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![BU of 5ezo by Molmil](/molmil-images/mine/5ezo) | Crystal Structure of PfCyRPA in complex with an invasion-inhibitory antibody Fab. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PfCyRPA, c12 FAB, ... | Authors: | Favuzza, P, Pluschke, G, Rudolph, M.G. | Deposit date: | 2015-11-26 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody. Elife, 6, 2017
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5EZL
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3S3X
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![BU of 3s3x by Molmil](/molmil-images/mine/3s3x) | Structure of chicken acid-sensing ion channel 1 AT 3.0 A resolution in complex with psalmotoxin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, neuronal, ... | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun, 3, 2012
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5EZN
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![BU of 5ezn by Molmil](/molmil-images/mine/5ezn) | Crystal Structure of PfCyRPA | Descriptor: | Cysteine-rich protective antigen | Authors: | Favuzza, P, Pluschke, G, Rudolph, M.G. | Deposit date: | 2015-11-26 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody. Elife, 6, 2017
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3S68
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![BU of 3s68 by Molmil](/molmil-images/mine/3s68) | Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0 | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2011-05-25 | Release date: | 2012-02-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors Acta Crystallogr.,Sect.D, 68, 2012
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3S3W
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![BU of 3s3w by Molmil](/molmil-images/mine/3s3w) | Structure of chicken acid-sensing ion channel 1 at 2.6 a resolution and ph 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive cation channel 2, ... | Authors: | Dawson, R.J.P, Benz, J, Stohler, P, Tetaz, T, Joseph, C, Huber, S, Schmid, G, Huegin, D, Pflimlin, P, Trube, G, Rudolph, M.G, Hennig, M, Ruf, A. | Deposit date: | 2011-05-18 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Acid-sensing ion channel 1 in complex with the gating modifier Psalmotoxin 1. Nat Commun, 3, 2012
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5EDG
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![BU of 5edg by Molmil](/molmil-images/mine/5edg) | |
3R6T
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![BU of 3r6t by Molmil](/molmil-images/mine/3r6t) | Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide, CHLORIDE ION, ... | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2011-03-22 | Release date: | 2012-02-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors. Acta Crystallogr.,Sect.D, 68, 2012
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5HZ5
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![BU of 5hz5 by Molmil](/molmil-images/mine/5hz5) | |
3U81
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![BU of 3u81 by Molmil](/molmil-images/mine/3u81) | Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase | Descriptor: | Catechol O-methyltransferase, POTASSIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2011-10-15 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors. Acta Crystallogr.,Sect.D, 68, 2012
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7GQU
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![BU of 7gqu by Molmil](/molmil-images/mine/7gqu) | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7GQT
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![BU of 7gqt by Molmil](/molmil-images/mine/7gqt) | Crystal Structure of Werner helicase fragment 517-945 in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ... | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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7GQS
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![BU of 7gqs by Molmil](/molmil-images/mine/7gqs) | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | Deposit date: | 2023-10-19 | Release date: | 2024-05-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase. Nature, 629, 2024
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8ARU
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![BU of 8aru by Molmil](/molmil-images/mine/8aru) | |
1S8F
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![BU of 1s8f by Molmil](/molmil-images/mine/1s8f) | |
1MWA
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![BU of 1mwa by Molmil](/molmil-images/mine/1mwa) | 2C/H-2KBM3/DEV8 ALLOGENEIC COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2C T CELL RECEPTOR ALPHA CHAIN, ... | Authors: | Luz, J.G, Huang, M.D, Garcia, K.C, Rudolph, M.G, Teyton, L, Wilson, I.A. | Deposit date: | 2002-09-27 | Release date: | 2002-11-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility
complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially
increasing V(beta) Interactions. J.EXP.MED., 195, 2002
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