5WS9
 
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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8QV3
 | | Structure of the y-Tubulin Small Complex (yTuSC) as part of the native y-Tubulin Ring Complex (yTuRC) capping microtubule minus ends at the spindle pole body | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Spindle pole body component, Spindle pole body component 110, ... | | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | | Deposit date: | 2023-10-17 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (8.2 Å) | | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 31, 2024
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6FQS
 | | 3.11A complex of S.Aureus gyrase with imidazopyrazinone T3 and DNA | | Descriptor: | 5-cyclopropyl-8-fluoranyl-7-pyridin-4-yl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*TP*T)-3'), DNA gyrase subunit A, ... | | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | | Deposit date: | 2018-02-14 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance.
Nucleic Acids Res., 46, 2018
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5J89
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | Descriptor: | 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1 | | Authors: | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
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6YXT
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8DAL
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile | | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-06-13 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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5J8G
 | | Structure of nitroreductase from E. cloacae complexed with para-nitrobenzoic acid | | Descriptor: | 4-NITROBENZOIC ACID, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.-F, Rodgers, D.W. | | Deposit date: | 2016-04-07 | | Release date: | 2017-05-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Structure, 25, 2017
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8DJY
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one | | Descriptor: | (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | | Deposit date: | 2022-07-01 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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5FU2
 | | The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition | | Descriptor: | CALCIUM ION, CBM74-RFGH5, SODIUM ION, ... | | Authors: | Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8RGT
 | | Open Complex I from murine brain | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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4ZE8
 | | PBP AccA from A. tumefaciens C58 | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ... | | Authors: | El Sahili, A, Morera, S. | | Deposit date: | 2015-04-20 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
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1AJU
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8RGR
 | | Closed Complex I from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 31, 2024
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8OSJ
 | | Cryo-EM structure of CLOCK-BMAL1 bound to a nucleosomal E-box at position SHL-6.2 (DNA conformation 1) | | Descriptor: | Basic helix-loop-helix ARNT-like protein 1, Circadian locomoter output cycles protein kaput, DNA (124-MER), ... | | Authors: | Michael, A.K, Stoos, L, Kempf, G, Cavadini, S, Thoma, N.H. | | Deposit date: | 2023-04-19 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Cooperation between bHLH transcription factors and histones for DNA access.
Nature, 619, 2023
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4TWB
 | | Sulfolobus solfataricus ribose-phosphate pyrophosphokinase | | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION | | Authors: | Kadziola, A. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP.
Extremophiles, 19, 2015
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4ZFW
 | | Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia (bitter gourd) in complex with galactose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Chandran, T, Sharma, A, Vijayan, M. | | Deposit date: | 2015-04-21 | | Release date: | 2016-03-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure.
J.Biosci., 40, 2015
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5X1J
 | | Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ... | | Authors: | Harada, A, Senda, T. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
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5JMW
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ... | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2016-04-29 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
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7RUA
 | | Metazoan pre-targeting GET complex (cBUGG-out) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, Golgi to ER traffic protein 4 homolog, ... | | Authors: | Keszei, A.F.A, Yip, M.C.J, Shao, S. | | Deposit date: | 2021-08-16 | | Release date: | 2021-12-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into metazoan pretargeting GET complexes.
Nat.Struct.Mol.Biol., 28, 2021
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4ZEI
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1AAL
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6CKW
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-03-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6RVD
 | | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-31 | | Release date: | 2019-10-02 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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6CHO
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Descriptor: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-02-22 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6S71
 | | Crystal structure of CARM1 in complex with inhibitor WH5C | | Descriptor: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1 | | Authors: | Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I. | | Deposit date: | 2019-07-04 | | Release date: | 2020-03-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.062 Å) | | Cite: | Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
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