7SS6
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![BU of 7ss6 by Molmil](/molmil-images/mine/7ss6) | Structure of Klebsiella LpxH in complex with JH-LPH-45 | Descriptor: | 1,2-ETHANEDIOL, 5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide, MANGANESE (II) ION, ... | Authors: | Cho, J, Cochrane, C.S, Zhou, P. | Deposit date: | 2021-11-09 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH. Chemmedchem, 18, 2023
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7SS7
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![BU of 7ss7 by Molmil](/molmil-images/mine/7ss7) | Crystal structure of Klebsiella LpxH in complex with JH-LPH-50 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide, MANGANESE (II) ION, ... | Authors: | Cho, J, Cochrane, C.S, Zhou, P. | Deposit date: | 2021-11-09 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH. Chemmedchem, 18, 2023
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5UHT
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![BU of 5uht by Molmil](/molmil-images/mine/5uht) | Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Liu, Y, Rose, J, Jiang, L, Zhou, P. | Deposit date: | 2017-01-12 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
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5K8K
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![BU of 5k8k by Molmil](/molmil-images/mine/5k8k) | Structure of the Haemophilus influenzae LpxH-lipid X complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ... | Authors: | Cho, J, Lee, C.-J, Zhou, P. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis. Nat Microbiol, 1, 2016
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5U86
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![BU of 5u86 by Molmil](/molmil-images/mine/5u86) | Structure of the Aquifex aeolicus LpxC/LPC-069 complex | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ... | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | Deposit date: | 2016-12-13 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC. MBio, 8, 2017
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2J94
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![BU of 2j94 by Molmil](/molmil-images/mine/2j94) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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2J4I
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![BU of 2j4i by Molmil](/molmil-images/mine/2j4i) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ... | Authors: | Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2006-08-31 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs. Bioorg.Med.Chem.Lett., 16, 2006
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2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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6AZR
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![BU of 6azr by Molmil](/molmil-images/mine/6azr) | Crystal structure of the T264A HK853cp-BeF3-RR468 complex | Descriptor: | Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Rose, J, Zhou, P. | Deposit date: | 2017-09-11 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.628 Å) | Cite: | A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases. Nat Commun, 8, 2017
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6C8C
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![BU of 6c8c by Molmil](/molmil-images/mine/6c8c) | Chimeric Pol kappa RIR Rev1 C-terminal domain in complex with JHRE06 | Descriptor: | 8-chloro-2-[(2,4-dichlorophenyl)amino]-3-(3-methylbutanoyl)-5-nitroquinolin-4(1H)-one, Chimeric protein of the Pol Kappa RIR helix and the Rev1 C-terminal domain | Authors: | Najeeb, J, Zhou, P. | Deposit date: | 2018-01-24 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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6C59
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![BU of 6c59 by Molmil](/molmil-images/mine/6c59) | Chimeric Pol kappa RIR Rev1 C-terminal domain | Descriptor: | ACETATE ION, Chimeric Pol kappa RIR Rev1 C-terminal domain | Authors: | Wojtaszek, J.L, Zhou, P. | Deposit date: | 2018-01-15 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A Small Molecule Targeting Mutagenic Translesion Synthesis Improves Chemotherapy. Cell, 178, 2019
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8GAJ
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![BU of 8gaj by Molmil](/molmil-images/mine/8gaj) | Crystal Structure of E. coli LptA in complex with Podisus maculiventris Thanatin | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | Deposit date: | 2023-02-23 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA. J Struct Biol X, 8, 2023
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8GAL
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![BU of 8gal by Molmil](/molmil-images/mine/8gal) | Crystal Structure of the E. coli LptA in complex with Murgantia histrionica Thanatin | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | Authors: | Kibrom, A, Huynh, K, Donald, B, Zhou, P. | Deposit date: | 2023-02-23 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA. J Struct Biol X, 8, 2023
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8GAK
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![BU of 8gak by Molmil](/molmil-images/mine/8gak) | Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin | Descriptor: | Lipopolysaccharide export system protein LptA, Thanatin | Authors: | Huynh, K, Kibrom, A, Donald, B, Zhou, P. | Deposit date: | 2023-02-23 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA. J Struct Biol X, 8, 2023
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8DTI
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![BU of 8dti by Molmil](/molmil-images/mine/8dti) | Cryo-EM structure of Arabidopsis SPY in complex with GDP-fucose | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTG
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![BU of 8dtg by Molmil](/molmil-images/mine/8dtg) | Cryo-EM structure of Arabidopsis SPY alternative conformation 1 | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTH
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![BU of 8dth by Molmil](/molmil-images/mine/8dth) | Cryo-EM structure of Arabidopsis SPY alternative conformation 2 | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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8DTF
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![BU of 8dtf by Molmil](/molmil-images/mine/8dtf) | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs | Descriptor: | Probable UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase SPINDLY | Authors: | Kumar, S, Zhou, Y, Dillard, L, Borgnia, M.J, Bartesaghi, A, Zhou, P. | Deposit date: | 2022-07-25 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the full length Arabidopsis SPY with complete TPRs Nat Commun, 2023
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4ISA
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![BU of 4isa by Molmil](/molmil-images/mine/4isa) | Crystal Structure of the Escherichia coli LpxC/BB-78485 complex | Descriptor: | (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-01-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4ITL
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![BU of 4itl by Molmil](/molmil-images/mine/4itl) | Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom resolution | Descriptor: | GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Tetraacyldisaccharide 4'-kinase | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
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4ITN
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![BU of 4itn by Molmil](/molmil-images/mine/4itn) | Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 angstrom resolution | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1912 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
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4IS9
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![BU of 4is9 by Molmil](/molmil-images/mine/4is9) | Crystal Structure of the Escherichia coli LpxC/L-161,240 complex | Descriptor: | (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ... | Authors: | Lee, C.-J, Zhou, P. | Deposit date: | 2013-01-16 | Release date: | 2013-10-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC. Acs Chem.Biol., 9, 2014
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4ITM
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![BU of 4itm by Molmil](/molmil-images/mine/4itm) | Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1994 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
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4K3A
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![BU of 4k3a by Molmil](/molmil-images/mine/4k3a) | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | Descriptor: | SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase | Authors: | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | Deposit date: | 2013-04-10 | Release date: | 2013-10-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
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4K35
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![BU of 4k35 by Molmil](/molmil-images/mine/4k35) | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, glycoside hydrolase family 81 endo-beta-1,3-glucanase | Authors: | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | Deposit date: | 2013-04-10 | Release date: | 2013-10-02 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
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