5C05
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![BU of 5c05 by Molmil](/molmil-images/mine/5c05) | Crystal Structure of Gamma-terpinene Synthase from Thymus vulgaris | Descriptor: | 1,2-ETHANEDIOL, Putative gamma-terpinene synthase | Authors: | Parthier, C.P, Rudolph, K, Muller, Y.A, Mueller-Uri, F. | Deposit date: | 2015-06-12 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Expression, crystallization and structure elucidation of gamma-terpinene synthase from Thymus vulgaris. Acta Crystallogr.,Sect.F, 72, 2016
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6BBS
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![BU of 6bbs by Molmil](/molmil-images/mine/6bbs) | Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Kovalevsky, A, Aggarwal, M, McKenna, R. | Deposit date: | 2017-10-19 | Release date: | 2018-02-28 | Last modified: | 2024-03-13 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BBZ
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![BU of 6bbz by Molmil](/molmil-images/mine/6bbz) | Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, MAGNESIUM ION | Authors: | Cuneo, M.J, Kumar, P. | Deposit date: | 2017-10-20 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad. Sci Adv, 4, 2018
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6BC4
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6APZ
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5F3F
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![BU of 5f3f by Molmil](/molmil-images/mine/5f3f) | Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain | Descriptor: | 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide, Protein FimH | Authors: | Klein, R.D, Hultgren, S.J. | Deposit date: | 2015-12-02 | Release date: | 2016-12-07 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections. J.Med.Chem., 59, 2016
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6AXP
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5CBP
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![BU of 5cbp by Molmil](/molmil-images/mine/5cbp) | Crystal Structure of Conjoint Pyrococcus furiosus L-asparaginase at 37 degree C | Descriptor: | CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Sharma, P, Yadav, S.P, Tomar, R, Kundu, B, Ashish, F. | Deposit date: | 2015-07-01 | Release date: | 2016-07-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.358 Å) | Cite: | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property. Sci Rep, 10, 2020
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4XBS
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![BU of 4xbs by Molmil](/molmil-images/mine/4xbs) | 2-deoxyribose-5-phosphate aldolase mutant - E78K | Descriptor: | Deoxyribose-phosphate aldolase | Authors: | Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H. | Deposit date: | 2014-12-17 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis Catalysis Science And Technology, 5, 2015
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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XE9
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5CJF
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![BU of 5cjf by Molmil](/molmil-images/mine/5cjf) | The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor. | Descriptor: | 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ... | Authors: | Alterio, V, De Simone, G. | Deposit date: | 2015-07-14 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors. J.Med.Chem., 58, 2015
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6BDP
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![BU of 6bdp by Molmil](/molmil-images/mine/6bdp) | Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000071 (Compound 9c) Complex | Descriptor: | (4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein | Authors: | Taylor, A.B. | Deposit date: | 2017-10-24 | Release date: | 2018-10-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents. ACS Med Chem Lett, 9, 2018
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7B0B
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![BU of 7b0b by Molmil](/molmil-images/mine/7b0b) | Fab HbnC3t1p1_C6 bound to SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, IGK@ protein, ... | Authors: | Borenstein-Katz, A, Diskin, R. | Deposit date: | 2020-11-19 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Somatic hypermutation introduces bystander mutations that prepare SARS-CoV-2 antibodies for emerging variants. Immunity, 56, 2023
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4XSM
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![BU of 4xsm by Molmil](/molmil-images/mine/4xsm) | Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with D-talitol | Descriptor: | D-altritol, D-tagatose 3-epimerase, MANGANESE (II) ION | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2015-01-22 | Release date: | 2016-01-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
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6B67
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![BU of 6b67 by Molmil](/molmil-images/mine/6b67) | Human PP2Calpha (PPM1A) complexed with cyclic peptide c(MpSIpYVA) | Descriptor: | CALCIUM ION, Protein phosphatase 1A, cyclic peptide c(MpSIpYVA) | Authors: | Dyda, F, Kosek, D. | Deposit date: | 2017-10-01 | Release date: | 2018-04-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A trapped human PPM1A-phosphopeptide complex reveals structural features critical for regulation of PPM protein phosphatase activity. J. Biol. Chem., 293, 2018
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6APN
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2DKD
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![BU of 2dkd by Molmil](/molmil-images/mine/2dkd) | Crystal structure of N-acetylglucosamine-phosphate mutase, a member of the alpha-D-phosphohexomutase superfamily, in the product complex | Descriptor: | 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose, PHOSPHATE ION, Phosphoacetylglucosamine mutase, ... | Authors: | Nishitani, Y, Maruyama, D, Nonaka, T, Kita, A, Fukami, T.A, Mio, T, Yamada-Okabe, H, Yamada-Okabe, T, Miki, K. | Deposit date: | 2006-04-07 | Release date: | 2006-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes. J.Biol.Chem., 281, 2006
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6AUG
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6AVA
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6AW0
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![BU of 6aw0 by Molmil](/molmil-images/mine/6aw0) | Crystal structure of CEACAM3 L44Q | Descriptor: | CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ... | Authors: | Bonsor, D.A, Sundberg, E.J. | Deposit date: | 2017-09-05 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA. EMBO J., 37, 2018
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5FEF
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5FDS
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6AY7
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![BU of 6ay7 by Molmil](/molmil-images/mine/6ay7) | Cartilage homing cysteine-dense-peptides | Descriptor: | CHLORIDE ION, Potassium channel toxin alpha-KTx 3.5, SULFATE ION, ... | Authors: | Gewe, M.M, Strong, R.K. | Deposit date: | 2017-09-07 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Cartilage homing cysteine-dense-peptides To Be Published
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6BAH
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![BU of 6bah by Molmil](/molmil-images/mine/6bah) | Trastuzumab Fab v3 with 5-diphenyl meditope variant | Descriptor: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain,IGH@ protein, ... | Authors: | Bzymek, K.P, King, J.D, Williams, J.C. | Deposit date: | 2017-10-12 | Release date: | 2018-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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