5MEP
 
 | | Human Leukocyte Antigen A02 presenting ILGKFLHWL | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Lloyd, A, Crowther, M, Sewell, A.K. | | Deposit date: | 2016-11-16 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
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4LLY
 | | Crystal structure of Pertuzumab Clambda Fab with variable and constant domain redesigns (VRD2 and CRD2) at 1.6A | | Descriptor: | GLYCEROL, MAGNESIUM ION, light chain Clambda, ... | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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7B73
 | | Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | | Deposit date: | 2020-12-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
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1XG2
 | | Crystal structure of the complex between pectin methylesterase and its inhibitor protein | | Descriptor: | Pectinesterase 1, Pectinesterase inhibitor | | Authors: | Di Matteo, A, Raiola, A, Camardella, L, Giovane, A, Bonivento, D, De Lorenzo, G, Cervone, F, Bellincampi, D, Tsernoglou, D. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Interaction between Pectin Methylesterase and a Specific Inhibitor Protein
Plant Cell, 17, 2005
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5FUF
 | | Crystal structure of the Mep2 mutant S453D from Candida albicans | | Descriptor: | AMMONIUM TRANSPORTER, DECYL-BETA-D-MALTOPYRANOSIDE | | Authors: | van den Berg, B, Chembath, A, Jefferies, D, Basle, A, Khalid, S, Rutherford, J. | | Deposit date: | 2016-01-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.066 Å) | | Cite: | Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
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4LLQ
 | | Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 2 beta, CRD2b) at 1.42A | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, mutated CH1, mutated light chain Clambda | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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4LLU
 | | Structure of Pertuzumab Fab with light chain Clambda at 2.16A | | Descriptor: | ACETATE ION, Light chain CLAMBDA, PERTUZUMAB FAB Heavy chain, ... | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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6B0G
 | | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1245 | | Descriptor: | 1245 Antibody, Heavy Chain, Light Chain, ... | | Authors: | McLeod, B, Scally, S.W, Bosch, A, King, C.R, Julien, J.P. | | Deposit date: | 2017-09-14 | | Release date: | 2017-11-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25.
Nat Commun, 8, 2017
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7AOT
 | | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | | Descriptor: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | | Deposit date: | 2020-10-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4BB9
 | | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | | Deposit date: | 2012-09-21 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
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5FUG
 | | Crystal structure of a human YL1-H2A.Z-H2B complex | | Descriptor: | HISTONE H2A.Z, HISTONE H2B TYPE 1-J, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 72 HOMOLOG | | Authors: | Latrick, C.M, Marek, M, Ouararhni, K, Papin, C, Stoll, I, Ignatyeva, M, Obri, A, Ennifar, E, Dimitrov, S, Romier, C, Hamiche, A. | | Deposit date: | 2016-01-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular Basis and Specificity of H2A.Z-H2B Recognition and Deposition by the Histone Chaperone Yl1
Nat.Struct.Mol.Biol., 23, 2016
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4LK8
 | | Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Co(II) | | Descriptor: | COBALT (II) ION, Protein CyaY | | Authors: | Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J. | | Deposit date: | 2013-07-07 | | Release date: | 2014-07-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.494 Å) | | Cite: | Structural characterization of metal binding to a cold-adapted frataxin
J.Biol.Inorg.Chem., 20, 2015
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3IRR
 | | Crystal Structure of a Z-Z junction (with HEPES intercalating) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*A*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*G*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), ... | | Authors: | Athanasiadis, A, de Rosa, M. | | Deposit date: | 2009-08-24 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of a junction between two Z-DNA helices.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4LLM
 | | Structure of redesigned IgG1 first constant and lambda domains (CH1:Clambda constant redesign 1, CRD1) at 1.75A | | Descriptor: | Ig gamma-1 chain C region, Ig lambda-2 chain C region | | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | | Deposit date: | 2013-07-09 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface.
Nat.Biotechnol., 32, 2014
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8D1R
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | | Descriptor: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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8D25
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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5IKG
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6B77
 | | Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... | | Authors: | Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. | | Deposit date: | 2017-10-03 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
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4B7P
 | | Structure of HSP90 with NMS-E973 inhibitor bound | | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A. | | Deposit date: | 2012-08-21 | | Release date: | 2013-05-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases.
Clin.Cancer Res., 19, 2013
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6B7D
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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5FT8
 | | Crystal structure of the complex between the cysteine desulfurase CsdA and the sulfur-acceptor CsdE in the persulfurated state at 2.50 Angstroem resolution | | Descriptor: | Cysteine desulfurase CsdA, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | | Deposit date: | 2016-01-11 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
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4I9Q
 | | Crystal structure of the ternary complex of the D714A mutant of RB69 DNA polymerase | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | | Authors: | Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M. | | Deposit date: | 2012-12-05 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Remote Palm Domain Residue of RB69 DNA Polymerase Is Critical for Enzyme Activity and Influences the Conformation of the Active Site.
Plos One, 8, 2013
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5FYI
 | | Crystal structure of human JMJD2A in complex with pyruvate | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-07 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal Structure of Human Jmjd2A in Complex with Pyruvate
To be Published
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5FYH
 | | Crystal structure of human JMJD2A in complex with fumarate | | Descriptor: | 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-07 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | Crystal Structure of Human Jmjd2A in Complex with Fumarate
To be Published
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8D23
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529 | | Descriptor: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis | | Authors: | Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2022-05-27 | | Release date: | 2022-09-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
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