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6AK3
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BU of 6ak3 by Molmil
Crystal structure of the human prostaglandin E receptor EP3 bound to prostaglandin E2
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Prostaglandin E2 receptor EP3 subtype,Soluble cytochrome b562
Authors:Morimoto, K, Suno, R, Iwata, S, Kobayashi, T.
Deposit date:2018-08-29
Release date:2018-12-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the endogenous agonist-bound prostanoid receptor EP3.
Nat. Chem. Biol., 15, 2019
8HNI
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BU of 8hni by Molmil
hnRNP A2/B1 RRMs in complex with telomeric DNA
Descriptor: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'), Heterogeneous nuclear ribonucleoproteins A2/B1
Authors:Liu, Y, Abula, A, Xiao, H, Guo, H, Li, T, Zheng, L, Chen, B, Nguyen, H, Ji, X.
Deposit date:2022-12-07
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
J.Mol.Biol., 435, 2023
6AAC
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BU of 6aac by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with mAzZLys
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-18
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
8HL4
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BU of 8hl4 by Molmil
Cryo-EM Structures and Translocation Mechanism of Crenarchaeota Ribosome
Descriptor: 16s rRNA (1493-MER), 23s rRNA (3000-MER), 30S ribosomal protein S10, ...
Authors:Wang, Y.H, Zhou, J.
Deposit date:2022-11-28
Release date:2023-11-29
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.62 Å)
Cite:Cryo-electron microscopy structure and translocation mechanism of the crenarchaeal ribosome.
Nucleic Acids Res., 51, 2023
6AAR
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BU of 6aar by Molmil
Crystal structure of DAPK1 in complex with purpurin
Descriptor: Death-associated protein kinase 1, Purpurin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2018-07-19
Release date:2019-07-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
6AB1
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BU of 6ab1 by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oAzZLys
Descriptor: (2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-19
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
6ABL
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BU of 6abl by Molmil
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with oBrZLys
Descriptor: (2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Yanagisawa, T, Kuratani, M, Yokoyama, S.
Deposit date:2018-07-22
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
5ZR2
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BU of 5zr2 by Molmil
Crystal Structure of Phosphoserine Phosphatase Mutant (H9A) from Entamoeba histolytica in complex with Phosphoserine
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHOSERINE, Phosphoglycerate mutase family protein, ...
Authors:Kumari, P, Gourinath, S.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural and functional characterisation of phosphoserine phosphatase, that plays critical role in the oxidative stress response in the parasite Entamoeba histolytica.
J.Struct.Biol., 206, 2019
5ZRO
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BU of 5zro by Molmil
M. smegmatis antimutator protein MutT2 in complex with 5mdCTP
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), Putative mutator protein MutT2/NUDIX hydrolase
Authors:Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
Deposit date:2018-04-24
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5ZRV
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BU of 5zrv by Molmil
Structure of human mitochondrial trifunctional protein, octamer
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8HKE
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BU of 8hke by Molmil
dsRNA transporter
Descriptor: RNA (37-MER), Systemic RNA interference defective protein 1, ZINC ION
Authors:Jiang, D.H, Zhang, J.T.
Deposit date:2022-11-25
Release date:2023-11-29
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insights into double-stranded RNA recognition and transport by SID-1.
Nat.Struct.Mol.Biol., 31, 2024
6AF4
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BU of 6af4 by Molmil
Toxin-Antitoxin module from Streptococcus pneumoniae
Descriptor: HigA antitoxin, HigB toxin
Authors:Kang, S.M, Kim, D.H, Jin, C.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Toxin-Antitoxin module from Streptococcus pneumoniae
To Be Published
5ZUS
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BU of 5zus by Molmil
P domain of GII.17-2014/15
Descriptor: VP1
Authors:Chen, Y, Li, X.
Deposit date:2018-05-08
Release date:2018-10-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Adaptations of Norovirus GII.17/13/21 Lineage through Two Distinct Evolutionary Paths.
J. Virol., 93, 2019
8HNM
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BU of 8hnm by Molmil
CXCR3-DNGi complex activated by VUF11222
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Jiao, H.Z, Hu, H.L.
Deposit date:2022-12-08
Release date:2023-11-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
4USC
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BU of 4usc by Molmil
Crystal structure of peroxidase from palm tree Chamaerops excelsa
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
5ZVR
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BU of 5zvr by Molmil
Crystal structure of R274A mutant of phosphomannose isomerase from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, Mannose-6-phosphate isomerase, ZINC ION
Authors:Bangera, M, Murthy, M.R.N.
Deposit date:2018-05-12
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and functional insights into phosphomannose isomerase: the role of zinc and catalytic residues.
Acta Crystallogr D Struct Biol, 75, 2019
4USO
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BU of 4uso by Molmil
X-ray structure of the CCL2 lectin in complex with sialyl lewis X
Descriptor: CCL2 LECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M.
Deposit date:2014-07-11
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes.
Glycobiology, 27, 2017
6AFK
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BU of 6afk by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Descriptor: N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
6AG3
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BU of 6ag3 by Molmil
Crystal structure of uPA in complex with 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
Descriptor: 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator
Authors:Buckley, B, Jiang, L.G, Majed, H, Huang, M.D, Kelso, M, Ranson, M.
Deposit date:2018-08-09
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:uPA-HMA
To Be Published
6AG8
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BU of 6ag8 by Molmil
Crystal structure of Maltose O-acetyltransferase from E. coli
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Maltose O-acetyltransferase
Authors:Joo, S, Kim, K.-J.
Deposit date:2018-08-09
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Metabolic engineering of Escherichia coli for production of non-natural acetins from glycerol
To Be Published
4V54
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BU of 4v54 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with ribosome recycling factor (RRF).
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
Deposit date:2007-06-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
5ZQR
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BU of 5zqr by Molmil
Tankyrase-2 in complex with compound 40c
Descriptor: 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
Deposit date:2018-04-19
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
5ZYB
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BU of 5zyb by Molmil
Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ACETATE ION, Beta-lactamase, ...
Authors:Shimizu-Ibuka, A, Furukawa, N.
Deposit date:2018-05-23
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
To Be Published
5ZTX
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BU of 5ztx by Molmil
co-factor free Transaminase
Descriptor: 1,2-ETHANEDIOL, transaminase
Authors:Park, H.H, Shin, Y.C.
Deposit date:2018-05-05
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural dynamics of the transaminase active site revealed by the crystal structure of a co-factor free omega-transaminase from Vibrio fluvialis JS17
Sci Rep, 8, 2018

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