4NRS
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![BU of 4nrs by Molmil](/molmil-images/mine/4nrs) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannobiose | Descriptor: | Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | Authors: | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | Deposit date: | 2013-11-27 | Release date: | 2014-11-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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4NRR
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![BU of 4nrr by Molmil](/molmil-images/mine/4nrr) | Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannosyl-fructose | Descriptor: | Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-beta-D-fructofuranose | Authors: | Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J. | Deposit date: | 2013-11-27 | Release date: | 2014-11-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase. Acta Crystallogr.,Sect.D, 70, 2014
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5C3U
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![BU of 5c3u by Molmil](/molmil-images/mine/5c3u) | Crystal structure of a fungal L-serine ammonia-lyase from Rhizomucor miehei | Descriptor: | L-serine ammonia-lyase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Zhen, Q, Qiaojuan, Y, Shaoqing, Y, Zhengqiang, J. | Deposit date: | 2015-06-17 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure and characterization of a novel l-serine ammonia-lyase from Rhizomucor miehei. Biochem.Biophys.Res.Commun., 466, 2015
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6A7A
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![BU of 6a7a by Molmil](/molmil-images/mine/6a7a) | AKR1C1 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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6A7B
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![BU of 6a7b by Molmil](/molmil-images/mine/6a7b) | AKR1C3 complexed with new inhibitor with novel scaffold | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C3, DIMETHYLFORMAMIDE, ... | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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6JFX
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![BU of 6jfx by Molmil](/molmil-images/mine/6jfx) | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltopentaose | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | Deposit date: | 2019-02-12 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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6JHF
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![BU of 6jhf by Molmil](/molmil-images/mine/6jhf) | Crystal structure of apo Pullulanase from Paenibacillus barengoltzii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | Deposit date: | 2019-02-18 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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6JEQ
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![BU of 6jeq by Molmil](/molmil-images/mine/6jeq) | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with beta-cyclodextrin | Descriptor: | CALCIUM ION, CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | Deposit date: | 2019-02-07 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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5YLH
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![BU of 5ylh by Molmil](/molmil-images/mine/5ylh) | Structure of GH113 beta-1,4-mannanase | Descriptor: | beta-1,4-mannanase | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | Deposit date: | 2017-10-17 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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6JFJ
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![BU of 6jfj by Molmil](/molmil-images/mine/6jfj) | Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltohexaose and alpha-cyclodextrin | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q. | Deposit date: | 2019-02-09 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii. Acta Crystallogr D Struct Biol, 76, 2020
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3RLN
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![BU of 3rln by Molmil](/molmil-images/mine/3rln) | |
5YLL
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![BU of 5yll by Molmil](/molmil-images/mine/5yll) | Structure of GH113 beta-1,4-mannanase complex with M6. | Descriptor: | beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | Deposit date: | 2017-10-17 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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5YLI
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![BU of 5yli by Molmil](/molmil-images/mine/5yli) | Complex structure of GH113 beta-1,4-mannanase | Descriptor: | beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | Deposit date: | 2017-10-17 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase from Amphibacillus xylanus J. Biol. Chem., 293, 2018
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3RLO
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![BU of 3rlo by Molmil](/molmil-images/mine/3rlo) | Structural Basis of Cytosolic DNA Recognition by Innate Receptors | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Gamma-interferon-inducible protein 16 | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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7SZ9
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![BU of 7sz9 by Molmil](/molmil-images/mine/7sz9) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D. | Deposit date: | 2021-11-26 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states. Acta Crystallogr D Struct Biol, 78, 2022
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5YLK
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![BU of 5ylk by Molmil](/molmil-images/mine/5ylk) | Complex structure of GH 113 family beta-1,4-mannanase with mannobiose | Descriptor: | beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | Deposit date: | 2017-10-17 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromn Amphibacillus xylanus J. Biol. Chem., 293, 2018
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7SQI
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![BU of 7sqi by Molmil](/molmil-images/mine/7sqi) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP | Descriptor: | Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D. | Deposit date: | 2021-11-05 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states. Acta Crystallogr D Struct Biol, 78, 2022
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5Z4T
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![BU of 5z4t by Molmil](/molmil-images/mine/5z4t) | Complex structure - AxMan113A-M3 | Descriptor: | beta-1,4-mannanas, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Jiang, Z.Q, You, X, Yang, S.Q, Huang, P, Ma, J.W. | Deposit date: | 2018-01-13 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural insights into the catalytic mechanism of a novel glycoside hydrolase family 113 beta-1,4-mannanase fromAmphibacillus xylanus J. Biol. Chem., 293, 2018
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3RN5
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![BU of 3rn5 by Molmil](/molmil-images/mine/3rn5) | Structural basis of cytosolic DNA recognition by innate immune receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*AP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*TP*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*G)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RNU
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![BU of 3rnu by Molmil](/molmil-images/mine/3rnu) | Structural Basis of Cytosolic DNA Sensing by Innate Immune Receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*GP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*CP*TP*TP*TP*GP*AP*TP*GP*GP*CP*C)-3'), ... | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-22 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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3RN2
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![BU of 3rn2 by Molmil](/molmil-images/mine/3rn2) | Structural Basis of Cytosolic DNA Recognition by Innate Immune Receptors | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*CP*AP*AP*AP*GP*AP*TP*CP*TP*TP*TP*GP*AP*TP*GP*G)-3'), Interferon-inducible protein AIM2 | Authors: | Jin, T.C, Xiao, T. | Deposit date: | 2011-04-21 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of the HIN Domain:DNA Complexes Reveal Ligand Binding and Activation Mechanisms of the AIM2 Inflammasome and IFI16 Receptor. Immunity, 36, 2012
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7YGG
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![BU of 7ygg by Molmil](/molmil-images/mine/7ygg) | |
6IJX
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![BU of 6ijx by Molmil](/molmil-images/mine/6ijx) | Crystal Structure of AKR1C1 complexed with meclofenamic acid | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | Deposit date: | 2018-10-12 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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8TBQ
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![BU of 8tbq by Molmil](/molmil-images/mine/8tbq) | |
8WIU
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![BU of 8wiu by Molmil](/molmil-images/mine/8wiu) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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