5NN3
 
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | | Deposit date: | 2017-04-08 | | Release date: | 2017-10-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
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5UF7
 | | CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN | | Descriptor: | Protein unc-13 homolog A | | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | | Deposit date: | 2017-01-03 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.896 Å) | | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
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6TC3
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5ECL
 | | Crystal Structure of FIN219-FIP1 complex with JA, Ile and Mg | | Descriptor: | GLUTATHIONE, Glutathione S-transferase U20, ISOLEUCINE, ... | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1U27
 | | Triglycine variant of the ARNO Pleckstrin Homology Domain in complex with Ins(1,3,4,5)P4 | | Descriptor: | Cytohesin 2, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE | | Authors: | Cronin, T.C, DiNitto, J.P, Czech, M.P, Lambright, D.G. | | Deposit date: | 2004-07-16 | | Release date: | 2005-02-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of phosphoinositide selectivity in splice variants of Grp1 family PH domains
Embo J., 23, 2004
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6AX4
 | | Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b. | | Descriptor: | AMYLAMINE, Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b | | Authors: | Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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2RSV
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7HF1
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4OY2
 | | Crystal structure of TAF1-TAF7, a TFIID subcomplex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7, ... | | Authors: | Bhattacharya, S, Lou, X, Rajashankar, K, Jacobson, R.H, Webb, P. | | Deposit date: | 2014-02-10 | | Release date: | 2014-06-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and functional insight into TAF1-TAF7, a subcomplex of transcription factor II D.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5ECH
 | | Crystal Structure of FIN219-FIP1 complex with JA and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE, Glutathione S-transferase U20, ... | | Authors: | Chen, C.Y, Cheng, Y.S. | | Deposit date: | 2015-10-20 | | Release date: | 2016-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1O86
 | | Crystal Structure of Human Angiotensin Converting Enzyme in complex with lisinopril. | | Descriptor: | ANGIOTENSIN CONVERTING ENZYME, CHLORIDE ION, GLYCINE, ... | | Authors: | Natesh, R, Schwager, S.L.U, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2002-11-25 | | Release date: | 2003-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Human Angiotensin-Converting Enzyme-Lisinopril Complex
Nature, 421, 2003
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3LDJ
 | | Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACETATE ION, Pancreatic trypsin inhibitor | | Authors: | Yang, I.S, Kim, T.G, Park, B.S, Kim, K.H. | | Deposit date: | 2010-01-13 | | Release date: | 2010-09-15 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of aprotinin and its complex with sucrose octasulfate reveal multiple modes of interactions with implications for heparin binding.
Biochem.Biophys.Res.Commun., 2010
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7HFY
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7HF6
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3F67
 | | Crystal Structure of Putative Dienelactone Hydrolase from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, FORMIC ACID, ... | | Authors: | Kim, Y, Li, H, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-11-05 | | Release date: | 2008-11-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of Putative Dienelactone Hydrolase from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To be Published
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6HVU
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1KNT
 | | THE 1.6 ANGSTROMS STRUCTURE OF THE KUNITZ-TYPE DOMAIN FROM THE ALPHA3 CHAIN OF THE HUMAN TYPE VI COLLAGEN | | Descriptor: | COLLAGEN TYPE VI, SULFATE ION | | Authors: | Arnoux, B, Merigeau, K, Saludjian, P, Norris, F, Norris, K, Bjorn, S, Olsen, O, Petersen, L, Ducruix, A. | | Deposit date: | 1994-08-18 | | Release date: | 1994-11-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A structure of Kunitz-type domain from the alpha 3 chain of human type VI collagen.
J.Mol.Biol., 246, 1995
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5FL4
 | | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | | Descriptor: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ... | | Authors: | Leitans, J, Tars, K, Zalubovskis, R. | | Deposit date: | 2015-10-21 | | Release date: | 2015-11-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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3FJD
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4O78
 | | Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | | Deposit date: | 2013-12-24 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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9K9N
 | | Cryo-EM structure of MjHKU4r-CoV-1 receptor-binding domain complexed with human CD26 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Sun, J.Q. | | Deposit date: | 2024-10-27 | | Release date: | 2025-09-03 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Rational design of human CD26 receptor for a strong neutralizing ability against MjHKU4r-CoV-1 and MERS-CoV
Hlife, 2025
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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1KZV
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7HQS
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z56912586 | | Descriptor: | 1,3-benzothiazol-2-amine, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.617 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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