8IS4
 
 | | Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-FLUOROURACIL, GLYCEROL, ... | | Authors: | Guo, W.T, Li, X.J, Wu, B.X. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy.
Iscience, 26, 2023
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7NQA
 | | Crystal structure of Nucleoporin-98 nanobody MS98-6 complex solved at 2.2A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Nup98 Nanobody MS98-6, Nuclear pore complex protein Nup98-Nup96, ... | | Authors: | Sola-Colom, M, Trakhanov, S, Goerlich, D. | | Deposit date: | 2021-03-01 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 2024
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7ZYA
 | | Structure of Chit33 from Trichoderma harzianum. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Endochitinase 33, ... | | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | | Deposit date: | 2022-05-24 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
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5YL5
 | | Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, GLYCEROL, ... | | Authors: | Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution
To Be Published
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7LW7
 | | Human Exonuclease 5 crystal structure | | Descriptor: | 1,2-ETHANEDIOL, Exonuclease V, GLYCEROL, ... | | Authors: | Tsai, C.L, Tainer, J.A. | | Deposit date: | 2021-02-27 | | Release date: | 2021-07-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | EXO5-DNA structure and BLM interactions direct DNA resection critical for ATR-dependent replication restart.
Mol.Cell, 81, 2021
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1BG4
 | | XYLANASE FROM PENICILLIUM SIMPLICISSIMUM | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA-XYLANASE, GLYCEROL, ... | | Authors: | Schmidt, A, Kratky, C. | | Deposit date: | 1998-06-05 | | Release date: | 1998-08-12 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the xylanase from Penicillium simplicissimum.
Protein Sci., 7, 1998
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5MOG
 | | Oryza sativa phytoene desaturase inhibited by norflurazon | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Brausemann, A, Gemmecker, S, Koschmieder, J, Beyer, P, Einsle, O. | | Deposit date: | 2016-12-14 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure of Phytoene Desaturase Provides Insights into Herbicide Binding and Reaction Mechanisms Involved in Carotene Desaturation.
Structure, 25, 2017
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4X2G
 | | Selection of fragments for kinase inhibitor design: decoration is key | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | Deposit date: | 2014-11-26 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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1XKG
 | | Crystal structure of the major house dust mite allergen Der p 1 in its pro form at 1.61 A resolution | | Descriptor: | GLYCEROL, Major mite fecal allergen Der p 1, SULFATE ION, ... | | Authors: | Meno, K, Thorsted, P.B, Gajhede, M. | | Deposit date: | 2004-09-29 | | Release date: | 2005-06-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | The crystal structure of recombinant proDer p 1, a major house dust mite proteolytic allergen.
J.Immunol., 175, 2005
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4MTS
 | | Ni- and Zn-bound GloA2 at high resolution | | Descriptor: | GLYCEROL, Lactoylglutathione lyase, NICKEL (II) ION, ... | | Authors: | Bythell-Douglas, R, Bond, C.S. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
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4AJH
 | | rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid | | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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1YVB
 | | the Plasmodium falciparum Cysteine Protease Falcipain-2 | | Descriptor: | Cystatin, GLYCEROL, falcipain 2 | | Authors: | Wang, S.X. | | Deposit date: | 2005-02-15 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for unique mechanisms of folding and hemoglobin binding by a malarial protease.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1ZRU
 | | structure of the lactophage p2 receptor binding protein in complex with glycerol | | Descriptor: | GLYCEROL, lactophage p2 receptor binding protein | | Authors: | Spinelli, S, Tremblay, D.M, Tegoni, M, Blangy, S, Huyghe, C, Desmyter, A, Labrie, S, de Haard, H, Moineau, S, Cambillau, C, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-05-22 | | Release date: | 2006-03-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Receptor-binding protein of Lactococcus lactis phages: identification and characterization of the saccharide receptor-binding site.
J.Bacteriol., 188, 2006
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7BAW
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 | | Descriptor: | CC-Type2-(GgIaId)4, GLYCEROL, N-PROPANOL | | Authors: | Martin, F.J.O, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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5ZRY
 | | Crystal Structure of EphA6/Odin Complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ankyrin repeat and SAM domain-containing protein 1A,Ephrin type-A receptor 6, ... | | Authors: | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions.
Elife, 7, 2018
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4MTT
 | | Ni- and Zn-bound GloA2 at low resolution | | Descriptor: | CHLORIDE ION, GLYCEROL, Lactoylglutathione lyase, ... | | Authors: | Bythell-Douglas, R, Bond, C.S. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity.
Chemistry, 21, 2015
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6A1E
 | | Crystal structure of a synthase 1 from Santalum album in complex with ligand fps | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, GLYCEROL, ... | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
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4W97
 | | Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis | | Descriptor: | CHLORIDE ION, HTH-type transcriptional repressor KstR2, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate | | Authors: | Stogios, P.J, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-27 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and Functional Characterization of a Ketosteroid Transcriptional Regulator of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
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1MQN
 | | BHA/LSTc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | ha, y, stevens, d.j, skehel, j.j, wiley, d.c. | | Deposit date: | 2002-09-16 | | Release date: | 2003-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
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5VWS
 | | Ligand free structure of Cytochrome P450 TbtJ1 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. | | Deposit date: | 2017-05-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.411 Å) | | Cite: | P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides.
ACS Chem. Biol., 12, 2017
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6KYL
 | | Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, Mitochondrial distribution and morphology protein 35, Protein UPS1, ... | | Authors: | Lu, J, Chan, K.C, Zhai, Y, Fan, J, Sun, F. | | Deposit date: | 2019-09-19 | | Release date: | 2019-10-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Molecular mechanism of mitochondrial phosphatidate transfer by Ups1.
Commun Biol, 3, 2020
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2G55
 | | Anomalous substructure of trypsin (P3121) | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cationic trypsin | | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | | Deposit date: | 2006-02-22 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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1MQL
 | | BHA of Ukr/63 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | ha, y, stevens, d.j, skehel, j.j, wiley, d.c. | | Deposit date: | 2002-09-16 | | Release date: | 2003-08-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray structure of the hemagglutinin of a potential H3 avian progenitor of the 1968 Hong Kong pandemic influenza virus.
Virology, 309, 2003
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1W2L
 | | Cytochrome c domain of caa3 oxygen oxidoreductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CYTOCHROME OXIDASE SUBUNIT II, ... | | Authors: | Srinivasan, V, Rajendran, C, Sousa, F.L, Melo, A.M.P, Saraiva, L.M, Pereira, M.M, Santana, M, Teixeira, M, Michel, H. | | Deposit date: | 2004-07-06 | | Release date: | 2005-01-19 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure at 1.3 A resolution of Rhodothermus marinus caa(3) cytochrome c domain.
J. Mol. Biol., 345, 2005
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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