2WYF
 
 | | Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution | | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, alpha-D-galactopyranose, ... | | Authors: | Nurisso, A, Blanchard, B, Varrot, A, Imberty, A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides.
J.Biol.Chem., 285, 2010
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8JFV
 | | Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Neetu, N, Sharma, M, Mahto, J.K, Kumar, P. | | Deposit date: | 2023-05-19 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Sulisobenzone is a potent inhibitor of the global transcription factor Cra.
J.Struct.Biol., 215, 2023
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8JFF
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7RCH
 | | Crystal structure of NS1-ED of Vietnam influenza A virus in complex with the p85-beta-iSH2 domain of human PI3K | | Descriptor: | Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | | Authors: | Kim, I, Zhao, B, Li, P, Cho, J.H. | | Deposit date: | 2021-07-07 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Energy landscape reshaped by strain-specific mutations underlies epistasis in NS1 evolution of influenza A virus.
Nat Commun, 13, 2022
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8PJI
 | | MLLT1 in complex with compound 10a | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-23 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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6T1F
 | | Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site | | Descriptor: | Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3') | | Authors: | Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K. | | Deposit date: | 2019-10-04 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
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8PJ7
 | | MLLT3 in complex with compound PFI-6 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | Deposit date: | 2023-06-22 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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6XAG
 | | Apo BRAF dimer bound to 14-3-3 | | Descriptor: | 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf | | Authors: | Liau, N.P.D, Hymowitz, S.G, Sudhamsu, J. | | Deposit date: | 2020-06-04 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Dimerization Induced by C-Terminal 14-3-3 Binding Is Sufficient for BRAF Kinase Activation.
Biochemistry, 59, 2020
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6XFP
 | | Crystal Structure of BRAF kinase domain bound to Belvarafenib | | Descriptor: | 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2020-06-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
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7JY3
 | | Structure of HbA with compound 23 (PF-07059013) | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY0
 | | Structure of HbA with compound 9 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JXZ
 | | Structure of HbA with compound (S)-4 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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7JY1
 | | Structure of HbA with compound 19 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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5I35
 | | Structure of the Human mitochondrial kinase COQ8A R611K with AMPPNP (Cerebellar Ataxia and Ubiquinone Deficiency Through Loss of Unorthodox Kinase Activity) | | Descriptor: | Atypical kinase ADCK3, mitochondrial, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Bingman, C.A, Stefely, J.A, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2016-02-09 | | Release date: | 2016-08-17 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cerebellar Ataxia and Coenzyme Q Deficiency through Loss of Unorthodox Kinase Activity.
Mol.Cell, 63, 2016
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5AJC
 | | X-ray structure of RSL lectin in complex with sialyl lewis X tetrasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | | Authors: | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins
Acs Chem.Biol., 11, 2016
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5AJB
 | | X-ray structure of the RSL lectin in complex with Lewis X tetrasaccahride | | Descriptor: | LECTIN, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins
Acs Chem.Biol., 11, 2016
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1A42
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | | Descriptor: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Christianson, D.W. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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6PKC
 | | Inhibition of Human Menin by VTP-50469 | | Descriptor: | 5-fluoro-2-({4-[7-({trans-4-[(methylsulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N,N-di(propan-2-yl)benzamide, Menin,Menin | | Authors: | McKeever, B.M, Chen, G, Van Orton, R. | | Deposit date: | 2019-06-29 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Menin-MLL Inhibitor Induces Specific Chromatin Changes and Eradicates Disease in Models of MLL-Rearranged Leukemia.
Cancer Cell, 36, 2019
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8A64
 | | cryoEM structure of the catalytically inactive EndoS from S. pyogenes in complex with the Fc region of immunoglobulin G1. | | Descriptor: | Endo-beta-N-acetylglucosaminidase F2, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Trastoy, B, Cifuente, J.O, Du, J.J, Sundberg, E.J, Guerin, M.E. | | Deposit date: | 2022-06-16 | | Release date: | 2023-04-05 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Mechanism of antibody-specific deglycosylation and immune evasion by Streptococcal IgG-specific endoglycosidases.
Nat Commun, 14, 2023
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4XUZ
 | | Structure of CTX-M-15 bound to RPX-7009 at 1.5 A | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Clifton, M.C, Gardberg, A. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
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7JYI
 | | Subparticle Map of ZIKV MR-766 | | Descriptor: | E Glycoprotein, M protein | | Authors: | Jose, J, Hafenstein, S. | | Deposit date: | 2020-08-30 | | Release date: | 2020-09-16 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Identification of a pocket factor that is critical to Zika virus assembly.
Nat Commun, 11, 2020
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4XUX
 | | Structure of ampC bound to RPX-7009 at 1.75 A | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... | | Authors: | Clifton, M.C, Abendroth, J. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
J.Med.Chem., 58, 2015
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2BCJ
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1BNW
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNM
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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