6Z5A
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![BU of 6z5a by Molmil](/molmil-images/mine/6z5a) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 | Descriptor: | DIMETHYL SULFOXIDE, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2002941 To Be Published
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5NRM
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![BU of 5nrm by Molmil](/molmil-images/mine/5nrm) | Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant | Descriptor: | CALCIUM ION, DocCel5: Type I dockerin repeat domain from A. cellulolyticus family 5 endoglucanase WP_010249057 S51I, L52N mutant, ... | Authors: | Bule, P, Najmudin, S, Fontes, C.M.G.A, Alves, V.D. | Deposit date: | 2017-04-24 | Release date: | 2018-01-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-function analyses generate novel specificities to assemble the components of multienzyme bacterial cellulosome complexes. J. Biol. Chem., 293, 2018
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6ZJV
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8VEK
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![BU of 8vek by Molmil](/molmil-images/mine/8vek) | IsPETase - ACC mutant | Descriptor: | GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | Deposit date: | 2023-12-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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7U60
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![BU of 7u60 by Molmil](/molmil-images/mine/7u60) | Integrin alaphIIBbeta3 complex with cRGDfV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-03-03 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
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8VE9
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![BU of 8ve9 by Molmil](/molmil-images/mine/8ve9) | IsPETase - ACCCETN mutant - CombiPETase | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | Deposit date: | 2023-12-18 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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5N7O
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![BU of 5n7o by Molmil](/molmil-images/mine/5n7o) | EthR2 in complex with SMARt-420 compound | Descriptor: | 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein | Authors: | Wohlkonig, A, Wintjens, R. | Deposit date: | 2017-02-21 | Release date: | 2017-04-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2. Biochem. Biophys. Res. Commun., 487, 2017
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5KRP
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![BU of 5krp by Molmil](/molmil-images/mine/5krp) | Frutapin, a lectin from Artocarpus incisa: Cloning, Expressing and Structural Analysis. | Descriptor: | Frutapin, GLYCEROL | Authors: | de Sousa, F.D, Coker, A.R, Guan, Y, Guo, J, de Oliveira Monteiro-Moreira, A.C, de Azevedo Moreira, R. | Deposit date: | 2016-07-07 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights. Biosci. Rep., 37, 2017
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6S5A
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![BU of 6s5a by Molmil](/molmil-images/mine/6s5a) | CRYSTAL STRUCTURE OF FC P329G LALA WITH ANTI FC P329G FAB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc P329G LALA, ... | Authors: | Ehler, A, Darowski, D, Jost, C, Stubenrauch, K, Wessels, U, Benz, J, Birk, M, Freimoser-Grundschober, A, Bruenker, P, Moessner, E, Umana, P, Kobold, S, Klein, C. | Deposit date: | 2019-07-01 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | P329G-CAR-J: a novel Jurkat-NFAT-based CAR-T reporter system recognizing the P329G Fc mutation. Protein Eng.Des.Sel., 32, 2019
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8VEM
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![BU of 8vem by Molmil](/molmil-images/mine/8vem) | IsPETase - ACCE mutant | Descriptor: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | Deposit date: | 2023-12-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.711 Å) | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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5KUN
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![BU of 5kun by Molmil](/molmil-images/mine/5kun) | Human cyclophilin A at 100K, Data set 2 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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6Z63
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![BU of 6z63 by Molmil](/molmil-images/mine/6z63) | FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | Authors: | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | Deposit date: | 2020-05-27 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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5KUW
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![BU of 5kuw by Molmil](/molmil-images/mine/5kuw) | Human cyclophilin A at 100K, Data set 9 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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5N4W
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![BU of 5n4w by Molmil](/molmil-images/mine/5n4w) | Crystal structure of the Cul2-Rbx1-EloBC-VHL ubiquitin ligase complex | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | Authors: | Cardote, T.A.F, Gadd, M.S, Ciulli, A. | Deposit date: | 2017-02-11 | Release date: | 2017-06-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Crystal Structure of the Cul2-Rbx1-EloBC-VHL Ubiquitin Ligase Complex. Structure, 25, 2017
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6ZD5
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5KV5
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![BU of 5kv5 by Molmil](/molmil-images/mine/5kv5) | Human cyclophilin A at 278K, Data set 7 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-08-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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8VK1
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![BU of 8vk1 by Molmil](/molmil-images/mine/8vk1) | X-ray crystal structure of human IgE 4C8 Fab complex with Der p 2.0103 | Descriptor: | Der p 2 variant 3, IgE 4C8 heavy chain, IgE 4C8 light chain | Authors: | Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M. | Deposit date: | 2024-01-08 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2. J.Allergy Clin.Immunol., 2024
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5ND3
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![BU of 5nd3 by Molmil](/molmil-images/mine/5nd3) | Microtubule-bound MKLP2 motor domain in the with no nucleotide | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | Authors: | Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | Deposit date: | 2017-03-07 | Release date: | 2017-10-04 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry. Elife, 6, 2017
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6RNA
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![BU of 6rna by Molmil](/molmil-images/mine/6rna) | RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol | Descriptor: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Haile, P.A. | Deposit date: | 2019-05-08 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases. J.Med.Chem., 62, 2019
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8VEL
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![BU of 8vel by Molmil](/molmil-images/mine/8vel) | IsPETase - ACCCC mutant | Descriptor: | Poly(ethylene terephthalate) hydrolase, SULFATE ION | Authors: | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | Deposit date: | 2023-12-19 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.624 Å) | Cite: | Enhancing PET Degrading Enzymes: A Combinatory Approach. Chembiochem, 25, 2024
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6X2J
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![BU of 6x2j by Molmil](/molmil-images/mine/6x2j) | Structure of human TRPA1 in complex with agonist GNE551 | Descriptor: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L, Chen, H. | Deposit date: | 2020-05-20 | Release date: | 2020-11-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron, 109, 2021
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5KZH
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5NAP
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![BU of 5nap by Molmil](/molmil-images/mine/5nap) | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-02-28 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues. J Enzyme Inhib Med Chem, 33, 2018
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4YEK
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![BU of 4yek by Molmil](/molmil-images/mine/4yek) | X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-02-24 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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5NGJ
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![BU of 5ngj by Molmil](/molmil-images/mine/5ngj) | Crystal structure of pb6, major tail tube protein of bacteriophage T5 | Descriptor: | CHLORIDE ION, Tail tube protein | Authors: | Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C. | Deposit date: | 2017-03-17 | Release date: | 2018-01-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection. Nat Commun, 8, 2017
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