5SB9
 
 | | Tubulin-maytansinoid-4a-complex | | Descriptor: | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl phenylacetate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Marzullo, P, Boiarska, Z, Perez-Pena, H, Abel, A.-C, Alvarez-Bernad, B, Lucena-Agell, D, Vasile, F, Sironi, M, Steinmetz, M.O, Prota, A.E, Diaz, J.F, Pieraccini, S, Passarella, D. | | Deposit date: | 2021-07-20 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Maytansinol Derivatives: Side Reactions as a Chance for New Tubulin Binders.
Chemistry, 28, 2022
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8B6O
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5HKL
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6OK1
 | | Ltp2-ChsH2(DUF35) aldolase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ChsH2(DUF35), ... | | Authors: | Kimber, M.S, Mallette, E, Aggett, R, Seah, S.Y.K. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The steroid side-chain-cleaving aldolase Ltp2-ChsH2DUF35is a thiolase superfamily member with a radically repurposed active site.
J.Biol.Chem., 294, 2019
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8B6Q
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology | | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase,Calmodulin-1,Haloalkane dehalogenase,Calmodulin-1,M13 peptide | | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-09-27 | | Release date: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of the haloalkane dehalogenase HaloTag7 with an insertion of Calmodulin-M13 fusion at position 154-156 that mimic the structure of CaProLa, an calcium gated protein labeling technology
To Be Published
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8B6P
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5E6J
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5E70
 | | Crystal structure of Ecoli Branching Enzyme with gamma cyclodextrin | | Descriptor: | 1,4-alpha-glucan branching enzyme GlgB, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL | | Authors: | Feng, L, Nosrati, M, Geiger, J.H. | | Deposit date: | 2015-10-11 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structures of Escherichia coli branching enzyme in complex with cyclodextrins.
Acta Crystallogr D Struct Biol, 72, 2016
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5E3C
 | | Structure of human DPP3 in complex with hemorphin like opioid peptide IVYPW | | Descriptor: | Dipeptidyl peptidase 3, IVYPW, MAGNESIUM ION, ... | | Authors: | Kumar, P, Reithofer, V, Reisinger, M, Pavkov-Keller, T, Wallner, S, Macheroux, P, Gruber, K. | | Deposit date: | 2015-10-02 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.765 Å) | | Cite: | Substrate complexes of human dipeptidyl peptidase III reveal the mechanism of enzyme inhibition.
Sci Rep, 6, 2016
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5HUL
 | | Crystal Structure of NadC Deletion Mutant in Cubic Space Group | | Descriptor: | PHOSPHATE ION, Quinolinate phosphoribosyltransferase | | Authors: | Booth, W.T, Chruszcz, M. | | Deposit date: | 2016-01-27 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.855 Å) | | Cite: | Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
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5E86
 | | isolated SBD of BiP with loop34 modification | | Descriptor: | 78 kDa glucose-regulated protein | | Authors: | Liu, Q, Yang, J, Nune, M, Zong, Y, Zhou, L. | | Deposit date: | 2015-10-13 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.681 Å) | | Cite: | Close and Allosteric Opening of the Polypeptide-Binding Site in a Human Hsp70 Chaperone BiP.
Structure, 23, 2015
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4ZBK
 | | Crystal Structure of human GGT1 in complex with GGsTop inhibitor | | Descriptor: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Terzyan, S, Hanigan, M. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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8SRN
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7P2K
 | | Solution NMR Structure of Arginine to Cysteine mutant of Arkadia RING domain. | | Descriptor: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | Authors: | Raptis, V, Marousis, K.D, Birkou, M, Bentrop, D, Episkopou, V, Spyroulias, G.A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Impact of a Single Nucleotide Polymorphism on the 3D Protein Structure and Ubiquitination Activity of E3 Ubiquitin Ligase Arkadia.
Front Mol Biosci, 9, 2022
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5EA2
 | | Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | Deposit date: | 2015-10-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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2YFH
 | | Structure of a Chimeric Glutamate Dehydrogenase | | Descriptor: | GLUTAMATE DEHYDROGENASE, NAD-SPECIFIC GLUTAMATE DEHYDROGENASE | | Authors: | Oliveira, T, Panjikar, S, Sharkey, M.A, Carrigan, J.B, Hamza, M, Engel, P.C, Khan, A.R. | | Deposit date: | 2011-04-05 | | Release date: | 2012-04-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | Crystal Structure of a Chimaeric Bacterial Glutamate Dehydrogenase.
Acta Crystallogr.,Sect.F, 72, 2016
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5EAI
 | | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | Deposit date: | 2015-10-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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6OS8
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2YN0
 | | tau55 histidine phosphatase domain | | Descriptor: | PHOSPHATE ION, TRANSCRIPTION FACTOR TAU 55 KDA SUBUNIT | | Authors: | Taylor, N.M.I, Glatt, S, Hennrich, M, von Scheven, G, Grotsch, H, Fernandez-Tornero, C, Rybin, V, Gavin, A.C, Kolb, P, Muller, C.W. | | Deposit date: | 2012-10-11 | | Release date: | 2013-04-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Functional Characterization of a Phosphatase Domain within Yeast General Transcription Factor Iiic.
J.Biol.Chem., 288, 2013
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6O9C
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5EB0
 | | crystal form II of YfiB belonging to P41 | | Descriptor: | SULFATE ION, YfiB | | Authors: | Xu, M, Yang, X, Yang, X.-A, Zhou, L, Liu, T.-Z, Fan, Z, Jiang, T. | | Deposit date: | 2015-10-17 | | Release date: | 2016-05-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the regulatory mechanism of the Pseudomonas aeruginosa YfiBNR system
Protein Cell, 7, 2016
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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5HKI
 | | Crystal structure of Mycobacterium tuberculosis H37Rv orotate phosphoribosyltransferase in complex with Fe(III) dicitrate | | Descriptor: | Iron(III) dicitrate, Orotate phosphoribosyltransferase | | Authors: | Donini, S, Ferraris, D.M, Bolognesi, G, Rizzi, M. | | Deposit date: | 2016-01-14 | | Release date: | 2017-01-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural investigations on orotate phosphoribosyltransferase from Mycobacterium tuberculosis, a key enzyme of the de novo pyrimidine biosynthesis.
Sci Rep, 7, 2017
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6IAH
 | | Phosphatase Tt82 from Thermococcus thioreducens | | Descriptor: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | | Authors: | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | | Deposit date: | 2018-11-26 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity.
Acta Crystallogr D Struct Biol, 75, 2019
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