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7P8Y
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BU of 7p8y by Molmil
Short wilavidin apo form
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, ...
Authors:Avraham, O, Livnah, O.
Deposit date:2021-07-23
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
8CPI
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BU of 8cpi by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPJ
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BU of 8cpj by Molmil
Crystal structure of PPAR gamma (PPARG) in an inactive form
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
7XOI
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BU of 7xoi by Molmil
Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Tonozuka, T.
Deposit date:2022-05-01
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
6W8F
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BU of 6w8f by Molmil
K2P2.1 (TREK-1):ML335 complex, 0 mM K+
Descriptor: CADMIUM ION, DODECANE, HEXADECANE, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2020-03-20
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
7TGK
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BU of 7tgk by Molmil
Crystal structure of ATP bound DesD, the desferrioxamine synthetase from the Streptomyces griseoflavus ferrimycin biosynthetic pathway
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
7XII
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BU of 7xii by Molmil
Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) & aminopropylagmatine
Descriptor: 1-{4-[(3-aminopropyl)amino]butyl}guanidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
Authors:Mizohata, E, Yasuda, Y.
Deposit date:2022-04-13
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
6W8S
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BU of 6w8s by Molmil
Crystal structure of metacaspase 4 from Arabidopsis
Descriptor: Metacaspase-4, SULFATE ION
Authors:Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
Deposit date:2020-03-21
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.484 Å)
Cite:Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
7TTJ
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BU of 7ttj by Molmil
Stable-5-LOX elongated Ha2
Descriptor: Arachidonate 5-lipoxygenase, FE (II) ION
Authors:Gilbert, N.C, Newcomer, M.E.
Deposit date:2022-02-01
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Helical remodeling augments 5-lipoxygenase activity in the synthesis of proinflammatory mediators.
J.Biol.Chem., 298, 2022
8BXT
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BU of 8bxt by Molmil
Structure of StayGold
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, StayGold
Authors:Ivorra-Molla, E, Akhuli, D, Crow, A.
Deposit date:2022-12-09
Release date:2023-07-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A monomeric StayGold fluorescent protein.
Nat.Biotechnol., 2023
6W9O
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BU of 6w9o by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel
Descriptor: ACETATE ION, OTU domain-containing protein wMelOTU
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
7TZ9
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BU of 7tz9 by Molmil
Structure of PQS Response Protein PqsE(E182W) Variant
Descriptor: FE (III) ION, Quinolone signal response protein
Authors:Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
Deposit date:2022-02-15
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
7OUQ
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BU of 7ouq by Molmil
wilavidin biotin complex
Descriptor: BIOTIN, GLYCEROL, wilavidin
Authors:Avraham, O, Livnah, O.
Deposit date:2021-06-13
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
8CE0
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BU of 8ce0 by Molmil
N-terminal domain of human apolipoprotein E
Descriptor: GLYCEROL, Maltodextrin-binding protein,Apolipoprotein E
Authors:Marek, M, Nemergut, M.
Deposit date:2023-02-01
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
7OUR
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BU of 7our by Molmil
Wilavidin apo form (P1 form)
Descriptor: wilavidin
Authors:Avraham, O, Livnah, O.
Deposit date:2021-06-13
Release date:2021-11-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
6W9R
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BU of 6w9r by Molmil
Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel bound to ubiquitin
Descriptor: CITRATE ANION, OTU domain-containing protein wMelOTU, Ubiquitin
Authors:Schubert, A.F, Pruneda, J.N, Komander, D.
Deposit date:2020-03-23
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Identification and characterization of diverse OTU deubiquitinases in bacteria.
Embo J., 39, 2020
5C46
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BU of 5c46 by Molmil
Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta in complex with GTP gamma S loaded Rab11
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Phosphatidylinositol 4-kinase beta, ...
Authors:Burke, J.E, Fowler, M.L.
Deposit date:2015-06-17
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIII beta with Rab11.
Protein Sci., 25, 2016
8C7S
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BU of 8c7s by Molmil
Transcriptional pleiotropic repressor CodY from Staphylococcus aureus in complex with Ile, GTP, and a 30-bp DNA fragment encompassing two overlapping binding sites
Descriptor: DNA (30-MER), GUANOSINE-5'-TRIPHOSPHATE, Global transcriptional regulator CodY (Fragment), ...
Authors:Hainzl, T, Sauer-Eriksson, A.E.
Deposit date:2023-01-17
Release date:2023-07-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural insights into CodY activation and DNA recognition.
Nucleic Acids Res., 51, 2023
6W3E
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BU of 6w3e by Molmil
Structure of phosphorylated IRE1 in complex with G-0701
Descriptor: Serine/threonine-protein kinase/endoribonuclease IRE1, methyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate
Authors:Ferri, E, Wang, W, Joachim, R, Mortara, K.
Deposit date:2020-03-09
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.737 Å)
Cite:Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2023-09-27
Release date:2023-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
8QLR
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BU of 8qlr by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MR24
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-09-20
Release date:2023-11-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
8CDY
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BU of 8cdy by Molmil
N-terminal domain of human apolipoprotein E
Descriptor: Maltodextrin-binding protein,Apolipoprotein E
Authors:Marek, M, Nemergut, M.
Deposit date:2023-02-01
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
7TGN
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BU of 7tgn by Molmil
Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Desferrioxamine synthetase DesD, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2022-01-07
Release date:2022-07-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
8QPC
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BU of 8qpc by Molmil
18mer DNA mimic Foldamer with an Aromatic linker in complex with Sac7d V26A/M29A protein
Descriptor: DNA-binding protein 7b, N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide
Authors:Deepak, D, Corvaglia, V, Wu, J, Huc, I.
Deposit date:2023-10-01
Release date:2023-11-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:DNA-Mimic Foldamer Recognition of a Chromosomal Protein
To Be Published
6PO8
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BU of 6po8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-((4-(2-Amino-4-methylquinolin-7-yl)-2-(aminomethyl)phenoxy)methyl)benzonitrile
Descriptor: 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-03
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020

224004

건을2024-08-21부터공개중

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