5VGY
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![BU of 5vgy by Molmil](/molmil-images/mine/5vgy) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5S)-5-[(2,4-dimethoxyphenyl)methyl]-5-hydroxy-2-sulfanylideneimidazolidin-4-one, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2017-04-11 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5FLS
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![BU of 5fls by Molmil](/molmil-images/mine/5fls) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNI
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![BU of 5fni by Molmil](/molmil-images/mine/5fni) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNG
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![BU of 5fng by Molmil](/molmil-images/mine/5fng) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNK
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![BU of 5fnk by Molmil](/molmil-images/mine/5fnk) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-(2,4-dichlorophenyl)prop-2-enoic acid, ACETIC ACID, CARBONIC ANHYDRASE 2, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FLR
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![BU of 5flr by Molmil](/molmil-images/mine/5flr) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-10-28 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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4YGJ
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![BU of 4ygj by Molmil](/molmil-images/mine/4ygj) | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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5FNL
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![BU of 5fnl by Molmil](/molmil-images/mine/5fnl) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5LVS
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![BU of 5lvs by Molmil](/molmil-images/mine/5lvs) | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | Descriptor: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ... | Authors: | Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y. | Deposit date: | 2016-09-14 | Release date: | 2017-03-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries. J. Am. Chem. Soc., 139, 2017
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5FNJ
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![BU of 5fnj by Molmil](/molmil-images/mine/5fnj) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 2-(4-ethoxyphenyl)ethanoic acid, CARBONIC ANHYDRASE 2, CHLORIDE ION, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNM
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![BU of 5fnm by Molmil](/molmil-images/mine/5fnm) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FNH
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![BU of 5fnh by Molmil](/molmil-images/mine/5fnh) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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6HZX
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![BU of 6hzx by Molmil](/molmil-images/mine/6hzx) | Protein-aromatic foldamer complex crystal structure | Descriptor: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | Deposit date: | 2018-10-24 | Release date: | 2019-09-18 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
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8BEF
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![BU of 8bef by Molmil](/molmil-images/mine/8bef) | Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane core) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | Authors: | Klusch, N, Kuehlbrandt, W. | Deposit date: | 2022-10-21 | Release date: | 2023-01-11 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.13 Å) | Cite: | Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution. Nat.Plants, 9, 2023
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8BPX
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![BU of 8bpx by Molmil](/molmil-images/mine/8bpx) | Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete composition) | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ... | Authors: | Klusch, N, Kuehlbrandt, W. | Deposit date: | 2022-11-18 | Release date: | 2023-01-25 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (2.09 Å) | Cite: | Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution. Nat.Plants, 9, 2023
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8BQ5
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![BU of 8bq5 by Molmil](/molmil-images/mine/8bq5) | Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (Complete conformation 1 composition) | Descriptor: | 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, AT3G07480.1, Acyl carrier protein 1, ... | Authors: | Klusch, N, Kuehlbrandt, W. | Deposit date: | 2022-11-18 | Release date: | 2023-03-22 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution. Nat.Plants, 9, 2023
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4Q7P
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![BU of 4q7p by Molmil](/molmil-images/mine/4q7p) | |
6SKV
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![BU of 6skv by Molmil](/molmil-images/mine/6skv) | |
6SKS
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![BU of 6sks by Molmil](/molmil-images/mine/6sks) | |
6SKT
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![BU of 6skt by Molmil](/molmil-images/mine/6skt) | |
1CNB
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![BU of 1cnb by Molmil](/molmil-images/mine/1cnb) | |
3OW5
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![BU of 3ow5 by Molmil](/molmil-images/mine/3ow5) | |
4TWL
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![BU of 4twl by Molmil](/molmil-images/mine/4twl) | Crystal structure of dioscorin complexed with ascorbate | Descriptor: | ASCORBIC ACID, Dioscorin 5, SULFATE ION | Authors: | Xue, Y.L, Miyakawa, T, Nakamura, A, Tanokura, M. | Deposit date: | 2014-07-01 | Release date: | 2015-04-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Yam Tuber Storage Protein Reduces Plant Oxidants Using the Coupled Reactions as Carbonic Anhydrase and Dehydroascorbate Reductase Mol Plant, 8, 2015
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5N5K
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![BU of 5n5k by Molmil](/molmil-images/mine/5n5k) | |
5N5J
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![BU of 5n5j by Molmil](/molmil-images/mine/5n5j) | Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate | Descriptor: | 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Calderone, V. | Deposit date: | 2017-02-14 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX). J. Med. Chem., 60, 2017
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