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8BJ4
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Crystal structure of Medicago truncatula histidinol-phosphate aminotransferase (HISN6) in apo form
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
Authors:Rutkiewicz, M, Witek, W, Ruszkowski, M.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Plant Physiol Biochem., 196, 2023
6Y83
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BU of 6y83 by Molmil
Capsid structure of Leishmania RNA virus 1
Descriptor: Capsid protein
Authors:Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
Deposit date:2020-03-03
Release date:2020-11-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
8V9U
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BU of 8v9u by Molmil
Solution NMR structure of human DNMT1 N-terminal alpha-helical domain
Descriptor: DNA (cytosine-5)-methyltransferase 1
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-12-09
Release date:2024-02-28
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:Identification of a conserved alpha-helical domain at the N terminus of human DNA methyltransferase 1.
J.Biol.Chem., 300, 2024
1A3H
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BU of 1a3h by Molmil
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHERANS AT 1.6A RESOLUTION
Descriptor: ENDOGLUCANASE
Authors:Davies, G.J, Brzozowski, A.M, Andersen, K, Schulein, M.
Deposit date:1998-01-21
Release date:1999-03-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the Bacillus agaradherans family 5 endoglucanase at 1.6 A and its cellobiose complex at 2.0 A resolution
Biochemistry, 37, 1998
8X44
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BU of 8x44 by Molmil
Crystal structure of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii (FormI)
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2023-11-15
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 32, 2024
8X4L
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BU of 8x4l by Molmil
Crystal structure of the N132A mutant of DIMT1 from Pyrococcus horikoshii
Descriptor: 1,2-ETHANEDIOL, ARGININE, DI(HYDROXYETHYL)ETHER, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2023-11-15
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 32, 2024
8X46
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BU of 8x46 by Molmil
Crystal structure of DIMT1 in complex with adenosylornithine (SFG) from Pyrococcus horikoshii
Descriptor: 1,2-ETHANEDIOL, ARGININE, CHLORIDE ION, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2023-11-15
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 32, 2024
8X45
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BU of 8x45 by Molmil
Crystal structure of DIMT1 in complex with 5'-methylthioadenosine from Pyrococcus horikoshii (FormII)
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, ...
Authors:Saha, S, Kanaujia, S.P.
Deposit date:2023-11-15
Release date:2024-08-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 32, 2024
8I8I
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BU of 8i8i by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Klebsiella pneumoniae at 2.59 A resolution
Descriptor: 1,2-ETHANEDIOL, Phosphopantetheine adenylyltransferase
Authors:Ahmad, N, Singh, P.K, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-02-04
Release date:2023-02-22
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of a novel form of phosphopantetheine adenylyltransferase from Klebsiella pneumoniae at 2.59 angstrom resolution.
Eur.Biophys.J., 53, 2024
8B6X
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BU of 8b6x by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC micelles
Descriptor: Envelope glycoprotein gp160
Authors:Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
Deposit date:2022-09-27
Release date:2022-11-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022
8B6Y
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BU of 8b6y by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
Descriptor: Envelope glycoprotein gp160
Authors:Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
Deposit date:2022-09-27
Release date:2022-12-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022
5Z9Y
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BU of 5z9y by Molmil
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase
Authors:Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y.
Deposit date:2018-02-05
Release date:2018-04-11
Last modified:2025-09-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8E40
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BU of 8e40 by Molmil
Full-length APOBEC3G in complex with HIV-1 Vif, CBF-beta, and fork RNA
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, RNA, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Liu, S, Yang, H, Shiriaeva, A, Zhou, Z.H, Chen, X.S.
Deposit date:2022-08-17
Release date:2023-01-11
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structural basis for HIV-1 antagonism of host APOBEC3G via Cullin E3 ligase.
Sci Adv, 9, 2023
8JTX
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BU of 8jtx by Molmil
hOCT1 in complex with nb5660 in inward facing fully open conformation
Descriptor: Solute carrier family 22 member 1, nanobody 56
Authors:Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X.
Deposit date:2023-06-22
Release date:2024-03-27
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
8JTY
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BU of 8jty by Molmil
hOCT1 in complex with nb5660 in inward facing partially open 2 conformation
Descriptor: Solute carrier family 22 member 1, nanobody 56
Authors:Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X.
Deposit date:2023-06-22
Release date:2024-03-27
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
8QLS
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BU of 8qls by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MR26
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)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 (1.61 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
7O2V
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BU of 7o2v by Molmil
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
Descriptor: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A
Authors:Garau, G.
Deposit date:2021-03-31
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
8GI8
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BU of 8gi8 by Molmil
Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) embedded in peptidisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CHOLESTEROL, Kalium Channelrhodopsin 1, ...
Authors:Morizumi, T, Kim, K, Li, H, Spudich, J.L, Ernst, O.P.
Deposit date:2023-03-13
Release date:2023-07-26
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structures of channelrhodopsin paralogs in peptidiscs explain their contrasting K + and Na + selectivities.
Nat Commun, 14, 2023
6VIE
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BU of 6vie by Molmil
Structure of caspase-1 in complex with gasdermin D
Descriptor: Caspase-1 subunit p10, Caspase-1 subunit p20, Gasdermin-D
Authors:Liu, Z, Xiao, T.S.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Caspase-1 Engages Full-Length Gasdermin D through Two Distinct Interfaces That Mediate Caspase Recruitment and Substrate Cleavage.
Immunity, 53, 2020
8H20
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BU of 8h20 by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with Glycine
Descriptor: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine palmitoyltransferase
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-04
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
5MMP
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BU of 5mmp by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)-isoquinolin-3-yl]-urea
Descriptor: 1-ethyl-3-[5-pyridin-4-yl-8-(pyridin-3-ylamino)isoquinolin-3-yl]urea, DNA gyrase subunit B
Authors:Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
Deposit date:2016-12-12
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
8H21
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BU of 8h21 by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with L-alanine
Descriptor: 1,2-ETHANEDIOL, 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Serine palmitoyltransferase
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-04
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
8H29
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BU of 8h29 by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum complexed with L-threonine
Descriptor: 1,2-ETHANEDIOL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, Serine palmitoyltransferase
Authors:Murakami, T, Takahashi, A, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-05
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
8YMO
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BU of 8ymo by Molmil
OSCA1.1-F516A pre-open 1
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Protein OSCA1
Authors:Zhang, M.F.
Deposit date:2024-03-09
Release date:2024-10-02
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Activation mechanisms of dimeric mechanosensitive OSCA/TMEM63 channels.
Nat Commun, 15, 2024

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数据于2025-10-15公开中

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