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4R83
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BU of 4r83 by Molmil
Crystal structure of Sialyltransferase from Photobacterium damsela
Descriptor: CALCIUM ION, Sialyltransferase 0160
Authors:Fisher, A.J, Chen, X, Li, Y, Huynh, N.
Deposit date:2014-08-29
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of sialyltransferase from Photobacterium damselae.
Febs Lett., 588, 2014
8I5I
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BU of 8i5i by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: Fab Heavy chain, Fab Light chain, Spike protein S1
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8I5H
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BU of 8i5h by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8UWL
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BU of 8uwl by Molmil
5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
8V6U
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BU of 8v6u by Molmil
5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking
Descriptor: 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ...
Authors:Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L.
Deposit date:2023-12-03
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
5I5D
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BU of 5i5d by Molmil
Salmonella global domain 245
Descriptor: Inner membrane protein YejM
Authors:Dong, C, Dong, H.
Deposit date:2016-02-15
Release date:2017-04-19
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria.
Sci Rep, 6, 2016
6LR3
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BU of 6lr3 by Molmil
Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum
Descriptor: Macrophage migration inhibitory factor, SULFATE ION
Authors:Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T.
Deposit date:2020-01-15
Release date:2020-07-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
6LKV
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BU of 6lkv by Molmil
Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, SULFATE ION
Authors:Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
6LKW
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BU of 6lkw by Molmil
Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
1AKP
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BU of 1akp by Molmil
SEQUENTIAL 1H,13C AND 15N NMR ASSIGNMENTS AND SOLUTION CONFORMATION OF APOKEDARCIDIN
Descriptor: APOKEDARCIDIN
Authors:Constantine, K.L, Colson, K.L, Wittekind, M, Friedrichs, M.S, Zein, N, Tuttle, J, Langley, D.R, Leet, J.E, Schroeder, D.R, Lam, K.S, Farmer II, B.T, Metzler, W.J, Bruccoleri, R.E, Mueller, L.
Deposit date:1994-06-20
Release date:1994-08-31
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Sequential 1H, 13C, and 15N NMR assignments and solution conformation of apokedarcidin.
Biochemistry, 33, 1994
1COU
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BU of 1cou by Molmil
ANTICOAGULANT PROTEIN FROM THE NEMATODE ANCYLOSTOMA CANINUM
Descriptor: PROTEIN (NEMATODE ANTICOAGULANT PROTEIN C2)
Authors:Duggan, B.M, Dyson, H.J, Wright, P.E.
Deposit date:1999-05-28
Release date:1999-10-20
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Inherent flexibility in a potent inhibitor of blood coagulation, recombinant nematode anticoagulant protein c2.
Eur.J.Biochem., 265, 1999
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Yan, M, Zhang, H.
Deposit date:2022-11-08
Release date:2023-04-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
5CRL
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BU of 5crl by Molmil
Crystal Structure of the Transcription Activator Tn501 MerR in Complex with Mercury (II)
Descriptor: MERCURY (II) ION, Mercuric resistance operon regulatory protein
Authors:Wang, D, Gan, J.H, Chen, H.
Deposit date:2015-07-23
Release date:2016-09-07
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of the Hg(II)-Regulatory Protein Tn501 MerR from Pseudomonas aeruginosa.
Sci Rep, 6, 2016
4GRB
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BU of 4grb by Molmil
Casein kinase 2 (CK2) bound to inhibitor
Descriptor: 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Larsen, N.A, Dowling, J.E, Ferguson, A.D.
Deposit date:2012-08-24
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.
ACS Med Chem Lett, 4, 2013
6AZR
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BU of 6azr by Molmil
Crystal structure of the T264A HK853cp-BeF3-RR468 complex
Descriptor: Chemotaxis regulator-transmits chemoreceptor signals to flagelllar motor components CheY, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Rose, J, Zhou, P.
Deposit date:2017-09-11
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.628 Å)
Cite:A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
7E34
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BU of 7e34 by Molmil
Crystal structure of SUN1-Speedy A-CDK2
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
Authors:Chen, Y, Huang, C, Wu, J, Lei, M.
Deposit date:2021-02-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
7WN2
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BU of 7wn2 by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-17
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
7WNB
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BU of 7wnb by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2022-01-18
Release date:2023-04-19
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
2M8T
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BU of 2m8t by Molmil
Solution NMR structure of the V209M variant of the human prion protein (residues 90-231)
Descriptor: Major prion protein
Authors:Mills, J.L, Surewicz, K, Surewicz, W, Soennichsen, F.D.
Deposit date:2013-05-28
Release date:2013-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo.
Cell Rep, 4, 2013
6JWE
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BU of 6jwe by Molmil
structure of RET G-quadruplex in complex with colchicine
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-20
Release date:2020-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6JWD
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BU of 6jwd by Molmil
structure of RET G-quadruplex in complex with berberine
Descriptor: BERBERINE, DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
Authors:Wang, F, Wang, C, Liu, Y, Lan, W.X, Li, Y.M, Wang, R.X, Cao, C.
Deposit date:2019-04-19
Release date:2020-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Colchicine selective interaction with oncogene RET G-quadruplex revealed by NMR.
Chem.Commun.(Camb.), 56, 2020
6IYO
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BU of 6iyo by Molmil
Crystal Structure of the acyltransferase domain from the second module of the salinomycin polyketide synthase
Descriptor: Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
6IYT
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BU of 6iyt by Molmil
Crystal Structure of the acyltransferase domain from second module 14 of salinomycin polyketide synthase
Descriptor: Type I modular polyketide synthase
Authors:Zhang, F, Zheng, J.
Deposit date:2018-12-17
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Insights into the Substrate Specificity of Acyltransferases from Salinomycin Polyketide Synthase.
Biochemistry, 58, 2019
6J1X
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BU of 6j1x by Molmil
WWP1 close conformation
Descriptor: GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019

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