5VFY
 
 | | Structure of an accessory protein of the pCW3 relaxosome | | Descriptor: | TcpK | | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2017-04-10 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3.
Nat Commun, 9, 2018
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8VZE
 | | Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP, 2-Hydroxyisobutyryl-CoA and ADP | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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7LQD
 | | Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor | | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ... | | Authors: | Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
J.Med.Chem., 65, 2022
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8VJL
 | | SpoIVFB:pro-sigmaK complex | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Lauryl Maltose Neopentyl Glycol, RNA polymerase sigma factor, ... | | Authors: | Orlando, M.A, Pouillon, H.J.T, Mandal, S, Kroos, L, Orlando, B.J. | | Deposit date: | 2024-01-07 | | Release date: | 2024-10-02 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Substrate engagement by the intramembrane metalloprotease SpoIVFB.
Nat Commun, 15, 2024
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6VJC
 | | LmFPPS mutant T164Y in complex with 476A, IPP & Ca | | Descriptor: | 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, ACETATE ION, CALCIUM ION, ... | | Authors: | Maheshwari, S, Kim, Y.S, Aripirala, S, Gabelli, S.B. | | Deposit date: | 2020-01-15 | | Release date: | 2020-11-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identifying Structural Determinants of Product Specificity in Leishmania major Farnesyl Diphosphate Synthase.
Biochemistry, 59, 2020
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8VZH
 | | Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Kim, Y, Maltseva, M, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VZK
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase CfhHACS from Chloroflexi bacterium in the Complex with THDP and ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kim, Y, Gade, P, Mayfield, A, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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5IQX
 | | 1.05A resolution structure of Holo HasAp (R33A) from Pseudomonas aeruginosa | | Descriptor: | D-MALATE, Heme acquisition protein HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kumar, R, Lovell, S, Battaile, K.P, Yao, H, Rivera, M. | | Deposit date: | 2016-03-11 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Replacing Arginine 33 for Alanine in the Hemophore HasA from Pseudomonas aeruginosa Causes Closure of the H32 Loop in the Apo-Protein.
Biochemistry, 55, 2016
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8VZA
 | | Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, L-Lactyl-CoA, and ADP | | Descriptor: | 2-Hydroxyacyl-CoA lyase/Synthase, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETYL GROUP, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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6VKZ
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5VH3
 | | Crystal structure of Fab fragment of the anti-TNFa antibody infliximab in a C-centered orthorhombic crystal form | | Descriptor: | 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain | | Authors: | Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P. | | Deposit date: | 2017-04-12 | | Release date: | 2017-05-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
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8VZB
 | | Crystal Structure of 2-Hydroxacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, D-Lactyl-CoA, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, ACETIC ACID, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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5ITD
 | | Crystal structure of PI3K alpha with PI3K delta inhibitor | | Descriptor: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2016-03-16 | | Release date: | 2016-09-07 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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8VZI
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase CcHACS from Conidiobolus coronatus in the Complex with THDP and ADP | | Descriptor: | 1,2-ETHANEDIOL, 2-hydroxyacyl-CoA lyase-like protein 1, ACETATE ION, ... | | Authors: | Kim, Y, Gade, P, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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5VHG
 | | Crystal structure of pentad mutant GAPR-1 | | Descriptor: | Golgi-associated plant pathogenesis-related protein 1, SULFATE ION | | Authors: | Li, Y, Zhao, Y, Su, M, Chakravarthy, S, Colbert, C.L, Levine, B, Sinha, S.C. | | Deposit date: | 2017-04-13 | | Release date: | 2017-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Structural insights into the interaction of the conserved mammalian proteins GAPR-1 and Beclin 1, a key autophagy protein.
Acta Crystallogr D Struct Biol, 73, 2017
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6VLM
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7LK1
 | | Ornithine Aminotransferase (OAT) with its potent inhibitor - (S)-3-amino-4,4-difluorocyclopent-1-enecarboxylic acid (SS-1-148) - 1 Hour Soaking | | Descriptor: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | | Authors: | Butrin, A, Shen, S, Liu, D, Silverman, R. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Turnover and Inactivation Mechanisms for ( S )-3-Amino-4,4-difluorocyclopent-1-enecarboxylic Acid, a Selective Mechanism-Based Inactivator of Human Ornithine Aminotransferase.
J.Am.Chem.Soc., 143, 2021
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8W0I
 | | Cryo-EM structure of the human MCM2-7 heterohexamer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA replication licensing factor MCM2, ... | | Authors: | Yang, R, Hunker, O, Bleichert, F. | | Deposit date: | 2024-02-13 | | Release date: | 2024-10-02 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Multiple mechanisms for licensing human replication origins.
Nature, 636, 2024
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7LO0
 | | Structure of human ASF1a in complex with a TLK2 peptide | | Descriptor: | Histone chaperone ASF1A, Serine/threonine-protein kinase tousled-like 2 | | Authors: | Simon, B, Calderwood, D, Turk, B.E, Boggon, T.J. | | Deposit date: | 2021-02-08 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry.
Nat Commun, 13, 2022
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8VDL
 | | HB3VAR03 CIDRa1.4 domain with C7 Fab | | Descriptor: | C7 Heavy Chain, C7 Light Chain, HB3VAR03 CIDRa1.4 domain, ... | | Authors: | Hurlburt, N.K, Pancera, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-10-09 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Broadly inhibitory antibodies to severe malaria virulence proteins.
Nature, 636, 2024
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5VHX
 | | GluA2-1xGSG1L bound to ZK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-03 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (8.3 Å) | | Cite: | Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes.
Neuron, 94, 2017
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7LSD
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8VH5
 | | Cryo-EM structure of Rab12-LRRK2 complex in the LRRK2 dimer state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, MAGNESIUM ION, ... | | Authors: | Zhu, H, Sun, J. | | Deposit date: | 2023-12-30 | | Release date: | 2024-10-09 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | RAB12-LRRK2 complex suppresses primary ciliogenesis and regulates centrosome homeostasis in astrocytes.
Nat Commun, 15, 2024
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8VZC
 | | Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthse ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Formyl-CoA, and ADP | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(hydroxymethyl)-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gade, P, Kim, Y, Endres, M, Lee, S, Yoshikuni, Y, Gonzalez, R, Michalska, K, Joachimiak, A. | | Deposit date: | 2024-02-11 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Commun Chem, 7, 2024
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8VX6
 | | Human OGG1 bound at the nucleosomal DNA entry site | | Descriptor: | DNA (167-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | You, Q, Li, H. | | Deposit date: | 2024-02-03 | | Release date: | 2024-10-09 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Human 8-oxoguanine glycosylase OGG1 binds nucleosome at the dsDNA ends and the super-helical locations.
Commun Biol, 7, 2024
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