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3G86
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BU of 3g86 by Molmil
Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
Descriptor: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-02-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
7XZ9
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BU of 7xz9 by Molmil
Mutant (E236A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, W.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZD
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BU of 7xzd by Molmil
Mutant (F179A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, IMIDAZOLE
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZF
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BU of 7xzf by Molmil
Wild type of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, GLYCEROL, IMIDAZOLE, ...
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZ8
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BU of 7xz8 by Molmil
Mutant (K141A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZB
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BU of 7xzb by Molmil
Mutant (Y242A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, SULFATE ION
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZA
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BU of 7xza by Molmil
Mutant (Y242F) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase FdlA
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZE
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BU of 7xze by Molmil
Mutant (H176A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase, IMIDAZOLE, SULFATE ION
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZ7
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BU of 7xz7 by Molmil
Mutant (D137A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
7XZC
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BU of 7xzc by Molmil
Mutant (R240A) of the N-terminal domain of fucoidan lyase FdlA
Descriptor: Fucoidan lyase
Authors:Wang, J, Li, M, Pan, X.
Deposit date:2022-06-02
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Biochemical Analysis Reveals Catalytic Mechanism of Fucoidan Lyase from Flavobacterium sp. SA-0082.
Mar Drugs, 20, 2022
3C9L
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BU of 3c9l by Molmil
Structure of ground-state bovine rhodospin in a hexagonal crystal form
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ACETYL GROUP, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
8WMD
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BU of 8wmd by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-2 state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
8WMF
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BU of 8wmf by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-1 state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 68, 2024
5GRS
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BU of 5grs by Molmil
Complex structure of the fission yeast SREBP-SCAP binding domains
Descriptor: Sterol regulatory element-binding protein 1, Sterol regulatory element-binding protein cleavage-activating protein
Authors:Gong, X, Qian, H.W, Wu, J.P, Yan, N.
Deposit date:2016-08-12
Release date:2016-12-14
Last modified:2019-10-23
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
5GTB
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BU of 5gtb by Molmil
crystal structure of intermembrane space region of the ARC6-PDV2 complex
Descriptor: Plastid division protein PDV2, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Wang, W.
Deposit date:2016-08-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.871 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
4JVG
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BU of 4jvg by Molmil
B-Raf Kinase in Complex with Birb796
Descriptor: 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Serine/threonine-protein kinase B-raf
Authors:Lavoie, H, Thevakumaran, N, Gavory, G, Li, J, Padeganeh, A, Guiral, S, Duchaine, J, Mao, D.Y.L, Bouvier, M, Sicheri, F, Therrien, M.
Deposit date:2013-03-25
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Inhibitors that stabilize a closed RAF kinase domain conformation induce dimerization.
Nat.Chem.Biol., 9, 2013
5C6V
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BU of 5c6v by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis NINJA peptide
Descriptor: AFP homolog 2, ASPR2 protein
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-23
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5C7F
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BU of 5c7f by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA1 peptide
Descriptor: ASPR2 protein, Auxin-responsive protein IAA1, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5HAD
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BU of 5had by Molmil
Crystal structure of intermembrane space region of chloroplast protein ARC6
Descriptor: 1,2-ETHANEDIOL, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Yu, X.
Deposit date:2015-12-30
Release date:2017-01-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
7EJV
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BU of 7ejv by Molmil
The co-crystal structure of DYRK2 with YK-2-69
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 2, [6-[[4-[2-(dimethylamino)-1,3-benzothiazol-6-yl]-5-fluoranyl-pyrimidin-2-yl]amino]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
Authors:Li, Z, Xiao, Y, Yuan, K, Kuang, W, Xiuquan, Y, Yang, P.
Deposit date:2021-04-02
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting dual-specificity tyrosine phosphorylation-regulated kinase 2 with a highly selective inhibitor for the treatment of prostate cancer.
Nat Commun, 13, 2022
4KY9
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BU of 4ky9 by Molmil
Structural and Functional Analysis of a Putative Substrate Access Tunnel in the Cytosolic Domain of Human Anion Exchanger 1
Descriptor: Band 3 anion transport protein
Authors:Shnitsar, V, Calmettes, C, Reithmeier, R.A.F, Moraes, T.F.
Deposit date:2013-05-28
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:A substrate access tunnel in the cytosolic domain is not an essential feature of the solute carrier 4 (SLC4) family of bicarbonate transporters.
J.Biol.Chem., 288, 2013
6VUA
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BU of 6vua by Molmil
X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Dai, Z, Zhang, X.N, Nasertorabi, F, Han, G.W, Stevens, R.C, Zhang, Y.
Deposit date:2020-02-14
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis of site-specific antibody-drug conjugates by ADP-ribosyl cyclases.
Sci Adv, 6, 2020
8Y13
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BU of 8y13 by Molmil
Cryo-EM structure of anti-phage defense associated DSR2 tetramer (H171A)
Descriptor: SIR2-like domain-containing protein
Authors:Li, F.X, Shi, Z.B, Wang, R.W, Xu, Q, Yang, R, Wu, Z.X.
Deposit date:2024-01-23
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
8ZPT
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BU of 8zpt by Molmil
Cryo-EM structure of prolactin-releasing peptide recognition with Gq
Descriptor: Guanine nucleotide-binding protein G(324) subunit alpha-1,, 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:Zhao, L, Li, Y, Yuan, Q, Xu, H.E.
Deposit date:2024-05-31
Release date:2024-09-25
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Molecular mechanism of prolactin-releasing peptide recognition and signaling via its G protein-coupled receptor.
Cell Discov, 10, 2024
6AKX
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BU of 6akx by Molmil
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21
Descriptor: C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ...
Authors:Zhu, Y, Zhao, Q, Wu, B.
Deposit date:2018-09-04
Release date:2018-10-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018

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