7R01
 
 | | BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7QZT
 | | BAZ2A bromodomain in complex with isoquinoline derivative fragment 9 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-01-31 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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4ZT3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4ZT7
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1717) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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1G79
 | | X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION | | Descriptor: | BETA-MERCAPTOETHANOL, FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, ... | | Authors: | Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V. | | Deposit date: | 2000-11-09 | | Release date: | 2000-11-29 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution.
J.Mol.Biol., 310, 2001
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5M3V
 | | BEAT Fc | | Descriptor: | Ig gamma-1 chain C region, Ig gamma-1 chain C region,Ig gamma-3 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Skegro, D, Stutz, C, Bourquin, F, Blein, S. | | Deposit date: | 2016-10-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Immunoglobulin domain interface exchange as a platform technology for the generation of Fc heterodimers and bispecific antibodies.
J. Biol. Chem., 292, 2017
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9FHE
 | | hKHK-C in complex with BI-9787 (pH 5.5) | | Descriptor: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2024-05-27 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
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9F17
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4LDO
 | | Structure of beta2 adrenoceptor bound to adrenaline and an engineered nanobody | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Camelid Antibody Fragment, L-EPINEPHRINE, ... | | Authors: | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | Deposit date: | 2013-06-24 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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4LNK
 | | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-glutamate-AMPPCP complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Glutamine synthetase, ... | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | | Deposit date: | 2013-07-11 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
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9FHD
 | | hKHK-C in fomplex with BI-9787 | | Descriptor: | (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid, Ketohexokinase, SULFATE ION | | Authors: | Ebenhoch, R, Pautsch, A. | | Deposit date: | 2024-05-27 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
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4LDE
 | | Structure of beta2 adrenoceptor bound to BI167107 and an engineered nanobody | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ... | | Authors: | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | Deposit date: | 2013-06-24 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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4LFV
 | | Crystal structure of human FPPS in complex with YS0470 and two molecules of inorganic phosphate | | Descriptor: | CHLORIDE ION, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-06-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human farnesyl pyrophosphate synthase in complex with an aminopyridine bisphosphonate and two molecules of inorganic phosphate.
Acta Crystallogr F Struct Biol Commun, 70, 2014
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4LIS
 | | Crystal Structure of UDP-galactose-4-epimerase from Aspergillus nidulans | | Descriptor: | GLYCEROL, IODIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dalrymple, S.A, Ko, J, Sheoran, I, Kaminskyj, S.G.W, Sanders, D.A.R. | | Deposit date: | 2013-07-03 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Elucidation of Substrate Specificity in Aspergillus nidulans UDP-Galactose-4-Epimerase.
Plos One, 8, 2013
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4LL6
 | | Structure of Myo4p globular tail domain. | | Descriptor: | ACETIC ACID, Myosin-4 | | Authors: | Shi, H, Singh, N, Esselborn, F, Blobel, G. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a myosinbulletadaptor complex and pairing by cargo.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4V99
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4LNF
 | | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-Q | | Descriptor: | GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ... | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.949 Å) | | Cite: | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
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4LDL
 | | Structure of beta2 adrenoceptor bound to hydroxybenzylisoproterenol and an engineered nanobody | | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-[(1R)-1-hydroxy-2-{[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino}ethyl]benzene-1,2-diol, Camelid Antibody Fragment, ... | | Authors: | Ring, A.M, Manglik, A, Kruse, A.C, Enos, M.D, Weis, W.I, Garcia, K.C, Kobilka, B.K. | | Deposit date: | 2013-06-24 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Adrenaline-activated structure of beta 2-adrenoceptor stabilized by an engineered nanobody.
Nature, 502, 2013
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4LF3
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4LL7
 | | Structure of She3p amino terminus. | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DYSPROSIUM ION, ... | | Authors: | Shi, H, Singh, N, Esselborn, F, Blobel, G. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure of a myosinbulletadaptor complex and pairing by cargo.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4LNN
 | | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS | | Descriptor: | Glutamine synthetase, MAGNESIUM ION, SULFATE ION | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
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4LGJ
 | | Crystal structure and mechanism of a type III secretion protease | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
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5X3R
 | | Crystal structure of the SmcR complexed with QStatin | | Descriptor: | 1-(5-bromanylthiophen-2-yl)sulfonylpyrazole, LuxR family transcriptional regulator, SULFATE ION | | Authors: | Jang, S.Y, Hwang, J, Kim, M.H. | | Deposit date: | 2017-02-07 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | QStatin, a Selective Inhibitor of Quorum Sensing inVibrioSpecies
MBio, 9, 2018
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4LL8
 | | Complex of carboxy terminal domain of Myo4p and She3p middle fragment | | Descriptor: | Myosin-4, SWI5-dependent HO expression protein 3 | | Authors: | Shi, H, Singh, N, Esselborn, F, Blobel, G. | | Deposit date: | 2013-07-09 | | Release date: | 2014-02-12 | | Last modified: | 2017-08-23 | | Method: | X-RAY DIFFRACTION (3.578 Å) | | Cite: | Structure of a myosinbulletadaptor complex and pairing by cargo.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4LNI
 | | B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | | Authors: | Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L. | | Deposit date: | 2013-07-11 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5793 Å) | | Cite: | Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
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