6S3D
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![BU of 6s3d by Molmil](/molmil-images/mine/6s3d) | |
6YUQ
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![BU of 6yuq by Molmil](/molmil-images/mine/6yuq) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with polysaccharide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ... | Authors: | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | Deposit date: | 2020-04-27 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6YUO
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![BU of 6yuo by Molmil](/molmil-images/mine/6yuo) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with caged Gadolinium | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | Deposit date: | 2020-04-27 | Release date: | 2020-08-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6YUV
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![BU of 6yuv by Molmil](/molmil-images/mine/6yuv) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A | Descriptor: | CHLORIDE ION, SacC, TRIETHYLENE GLYCOL | Authors: | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | Deposit date: | 2020-04-27 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6YUS
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![BU of 6yus by Molmil](/molmil-images/mine/6yus) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | Deposit date: | 2020-04-27 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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3G2T
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![BU of 3g2t by Molmil](/molmil-images/mine/3g2t) | VHS Domain of human GGA1 complexed with SorLA C-terminal Phosphopeptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, IODIDE ION, Phosphorylated C-terminal fragment of Sortilin-related receptor | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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3G2V
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![BU of 3g2v by Molmil](/molmil-images/mine/3g2v) | VHS Domain of human GGA1 complexed with Sotilin C-terminal Phosphopeptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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3G2U
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![BU of 3g2u by Molmil](/molmil-images/mine/3g2u) | VHS Domain of human GGA1 complexed with Sotilin C-terminal Peptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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3G2W
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![BU of 3g2w by Molmil](/molmil-images/mine/3g2w) | VHS Domain of human GGA1 complexed with a DXXLL hinge peptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, Internal peptide of the Hinge domain of ADP-ribosylation factor-binding protein GGA1 | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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3G2S
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![BU of 3g2s by Molmil](/molmil-images/mine/3g2s) | VHS Domain of human GGA1 complexed with SorLA C-terminal Peptide | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin-related receptor, HEXANE-1,6-DIOL | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | Deposit date: | 2009-02-01 | Release date: | 2009-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | GGA autoinhibition revisited Traffic, 11, 2010
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5NZI
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![BU of 5nzi by Molmil](/molmil-images/mine/5nzi) | Crystal structure of UDP-glucose pyrophosphorylase S374F mutant from Leishmania major in complex with UDP-glucose | Descriptor: | 1,2-ETHANEDIOL, UDP-glucose pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZG
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![BU of 5nzg by Molmil](/molmil-images/mine/5nzg) | Crystal structure of UDP-glucose pyrophosphorylase S374W mutant from Leishmania major in complex with UDP-glucose | Descriptor: | 1,2-ETHANEDIOL, UDP-glucose pyrophosphorylase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZM
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![BU of 5nzm by Molmil](/molmil-images/mine/5nzm) | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with murrayamine-I | Descriptor: | Murrayamine-I, UDP-glucose pyrophosphorylase | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZK
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![BU of 5nzk by Molmil](/molmil-images/mine/5nzk) | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with phenylalanine | Descriptor: | PHENYLALANINE, SULFATE ION, UDP-glucose pyrophosphorylase | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZL
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![BU of 5nzl by Molmil](/molmil-images/mine/5nzl) | Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with resveratrol | Descriptor: | 1,2-ETHANEDIOL, RESVERATROL, UDP-glucose pyrophosphorylase | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZJ
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![BU of 5nzj by Molmil](/molmil-images/mine/5nzj) | Crystal structure of UDP-glucose pyrophosphorylase G45Y mutant from Leishmania major in complex with UDP-glucose | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, UDP-glucose pyrophosphorylase, ... | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5NZH
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![BU of 5nzh by Molmil](/molmil-images/mine/5nzh) | Crystal structure of UDP-glucose pyrophosphorylase V402W mutant from Leishmania major | Descriptor: | UDP-glucose pyrophosphorylase | Authors: | Cramer, J.T, Fuehring, J.I, Baruch, P, Bruetting, C, Hesse, R, Knoelker, H.-J, Gerardy-Schahn, R, Fedorov, R. | Deposit date: | 2017-05-14 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Decoding Allosteric Networks in Biocatalysts: Rational Approach to Therapies and Biotechnologies Acs Catalysis, 8, 2018
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5MNR
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![BU of 5mnr by Molmil](/molmil-images/mine/5mnr) | Thermolysin in complex with inhibitor JC256 | Descriptor: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N3Y
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![BU of 5n3y by Molmil](/molmil-images/mine/5n3y) | Thermolysin in complex with inhibitor JC267 | Descriptor: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-09 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.339 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N2X
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![BU of 5n2x by Molmil](/molmil-images/mine/5n2x) | Thermolysin in complex with inhibitor JC272 | Descriptor: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.209 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N2T
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![BU of 5n2t by Molmil](/molmil-images/mine/5n2t) | Thermolysin in complex with inhibitor JC287 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N34
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![BU of 5n34 by Molmil](/molmil-images/mine/5n34) | Thermolysin in complex with inhibitor JC276 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N31
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![BU of 5n31 by Molmil](/molmil-images/mine/5n31) | Thermolysin in complex with inhibitor JC277 | Descriptor: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.368 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N2Z
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![BU of 5n2z by Molmil](/molmil-images/mine/5n2z) | Thermolysin in complex with inhibitor JC286 | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-08 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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5N3V
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![BU of 5n3v by Molmil](/molmil-images/mine/5n3v) | Thermolysin in complex with inhibitor JC292 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2017-02-09 | Release date: | 2017-06-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. J. Med. Chem., 60, 2017
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