2JBW
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![BU of 2jbw by Molmil](/molmil-images/mine/2jbw) | Crystal Structure of the 2,6-dihydroxy-pseudo-oxynicotine Hydrolase. | Descriptor: | 2,6-DIHYDROXY-PSEUDO-OXYNICOTINE HYDROLASE, SODIUM ION | Authors: | Schleberger, C, Sachelaru, P, Brandsch, R, Schulz, G.E. | Deposit date: | 2006-12-14 | Release date: | 2007-01-04 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Action of a Cc Bond Cleaving Alpha/Beta-Hydrolase Involved in Nicotine Degration. J.Mol.Biol., 367, 2007
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2J3Z
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![BU of 2j3z by Molmil](/molmil-images/mine/2j3z) | Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 6.1 | Descriptor: | C2 TOXIN COMPONENT I, COBALT (II) ION, GLYCEROL, ... | Authors: | Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E. | Deposit date: | 2006-08-23 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. J.Mol.Biol., 364, 2006
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2J3X
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![BU of 2j3x by Molmil](/molmil-images/mine/2j3x) | Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 3.0 (mut-S361R) | Descriptor: | C2 TOXIN COMPONENT I, GLYCEROL, SULFATE ION | Authors: | Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E. | Deposit date: | 2006-08-23 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. J.Mol.Biol., 364, 2006
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2J3V
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![BU of 2j3v by Molmil](/molmil-images/mine/2j3v) | Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 3.0 | Descriptor: | C2 TOXIN COMPONENT I, GLYCEROL, SULFATE ION | Authors: | Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E. | Deposit date: | 2006-08-23 | Release date: | 2006-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. J.Mol.Biol., 364, 2006
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2J42
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![BU of 2j42 by Molmil](/molmil-images/mine/2j42) | low quality crystal structure of the transport component C2-II of the C2-toxin from Clostridium botulinum | Descriptor: | C2 TOXIN COMPONENT-II | Authors: | Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E. | Deposit date: | 2006-08-24 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. J.Mol.Biol., 364, 2006
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6R36
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![BU of 6r36 by Molmil](/molmil-images/mine/6r36) | T. brucei farnesyl pyrophosphate synthase (FPPS) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
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1OKX
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![BU of 1okx by Molmil](/molmil-images/mine/1okx) | Binding Structure of Elastase Inhibitor Scyptolin A | Descriptor: | ELASTASE 1, SCYPTOLIN A | Authors: | Matern, U, Schleberger, C, Jelakovic, S, Weckesser, J, Schulz, G.E. | Deposit date: | 2003-07-31 | Release date: | 2003-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structure of Elastase Inhibitor Scyptolin A Chem.Biol., 10, 2003
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2W15
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![BU of 2w15 by Molmil](/molmil-images/mine/2w15) | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | Deposit date: | 2008-10-14 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W12
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![BU of 2w12 by Molmil](/molmil-images/mine/2w12) | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | Deposit date: | 2008-10-14 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W14
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![BU of 2w14 by Molmil](/molmil-images/mine/2w14) | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, IMIDAZOLE, ... | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | Deposit date: | 2008-10-14 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W13
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![BU of 2w13 by Molmil](/molmil-images/mine/2w13) | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, ACETATE ION, GLYCEROL, ... | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | Deposit date: | 2008-10-14 | Release date: | 2009-06-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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6R37
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![BU of 6r37 by Molmil](/molmil-images/mine/6r37) | T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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6R38
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![BU of 6r38 by Molmil](/molmil-images/mine/6r38) | T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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6R39
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![BU of 6r39 by Molmil](/molmil-images/mine/6r39) | |
2J9A
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![BU of 2j9a by Molmil](/molmil-images/mine/2j9a) | blLAP in Complex with Microginin FR1 | Descriptor: | (2S,3R)-3-AMINO-2-HYDROXYDECANOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Kraft, M, Schleberger, C, Weckesser, J, Schulz, G.E. | Deposit date: | 2006-11-06 | Release date: | 2006-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Binding Structure of the Leucine Aminopeptidase Inhibitor Microginin Fr1. FEBS Lett., 580, 2006
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6SI5
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![BU of 6si5 by Molmil](/molmil-images/mine/6si5) | T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one | Descriptor: | 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6SII
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![BU of 6sii by Molmil](/molmil-images/mine/6sii) | |
6SHV
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![BU of 6shv by Molmil](/molmil-images/mine/6shv) | T. cruzi FPPS in complex with 5-(4-fluorophenoxy)pyridin-2-amine | Descriptor: | 5-(4-fluoranylphenoxy)pyridin-2-amine, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-08 | Release date: | 2020-08-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R04
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![BU of 6r04 by Molmil](/molmil-images/mine/6r04) | T. cruzi FPPS | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R08
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![BU of 6r08 by Molmil](/molmil-images/mine/6r08) | T. cruzi FPPS in complex with 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid | Descriptor: | 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R06
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![BU of 6r06 by Molmil](/molmil-images/mine/6r06) | T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | Descriptor: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R05
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![BU of 6r05 by Molmil](/molmil-images/mine/6r05) | T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE | Descriptor: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R07
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![BU of 6r07 by Molmil](/molmil-images/mine/6r07) | T. cruzi FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R09
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![BU of 6r09 by Molmil](/molmil-images/mine/6r09) | T. cruzi FPPS in complex with 2-(4-((1H-indol-3-yl)methyl)piperazin-1-yl)benzo[d]thiazole | Descriptor: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6R0A
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![BU of 6r0a by Molmil](/molmil-images/mine/6r0a) | T. cruzi FPPS in complex with 3-((4-(benzo[d]thiazol-2-yl)piperazin-1-yl)methyl)-1H-indol-5-ol | Descriptor: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Muenzker, L, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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