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5VFY
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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
8VZE
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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
7LQD
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BU of 7lqd by Molmil
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
8VJL
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BU of 8vjl by Molmil
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
6VJC
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BU of 6vjc by Molmil
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
8VZH
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BU of 8vzh by Molmil
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
8VZK
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BU of 8vzk by Molmil
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
5IQX
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BU of 5iqx by Molmil
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
8VZA
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BU of 8vza by Molmil
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
6VKZ
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BU of 6vkz by Molmil
Crystal Structure of the N-prenyltransferase DabA in Complex with GSPP and Mg2+
Descriptor: DabA, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION
Authors:Chekan, J.R, Noel, J.P, Moore, B.S.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Algal neurotoxin biosynthesis repurposes the terpene cyclase structural fold into anN-prenyltransferase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VH3
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BU of 5vh3 by Molmil
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
8VZB
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BU of 8vzb by Molmil
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
5ITD
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BU of 5itd by Molmil
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
8VZI
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BU of 8vzi by Molmil
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
5VHG
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BU of 5vhg by Molmil
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
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
7LK1
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BU of 7lk1 by Molmil
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
8W0I
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BU of 8w0i by Molmil
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
7LO0
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BU of 7lo0 by Molmil
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
8VDL
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BU of 8vdl by Molmil
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
5VHX
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BU of 5vhx by Molmil
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
7LSD
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BU of 7lsd by Molmil
Crystal structure of near-infrared fluorescent protein miRFP718nano
Descriptor: BILIVERDINE IX ALPHA, miRFP718nano
Authors:Pletnev, S.
Deposit date:2021-02-18
Release date:2022-02-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational design of a small near-infrared fluorescent protein from CBCR suitable for deep-tissue SWIR imaging.
To Be Published
8VH5
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BU of 8vh5 by Molmil
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
8VZC
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BU of 8vzc by Molmil
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
8VX6
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BU of 8vx6 by Molmil
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

243531

數據於2025-10-22公開中

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