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2HB3
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BU of 2hb3 by Molmil
Wild-type HIV-1 Protease in complex with potent inhibitor GRL06579
Descriptor: (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, CHLORIDE ION, GLYCEROL, ...
Authors:Kovalevsky, A.Y, Weber, I.T.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance.
J.Med.Chem., 49, 2006
7YK2
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BU of 7yk2 by Molmil
Cryo-EM structure of Apo-alpha-syn fibril
Descriptor: Alpha-synuclein
Authors:Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C.
Deposit date:2022-07-21
Release date:2023-03-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy.
J.Am.Chem.Soc., 145, 2023
7YK8
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BU of 7yk8 by Molmil
Cryo-EM structure of dLAG3-alpha-syn fibril
Descriptor: Alpha-synuclein
Authors:Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C.
Deposit date:2022-07-22
Release date:2023-03-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy.
J.Am.Chem.Soc., 145, 2023
7WNH
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BU of 7wnh by Molmil
Crystal structure of Nurr1 binding to NBRE
Descriptor: DNA (5'-D(*CP*CP*GP*AP*AP*AP*AP*GP*GP*TP*CP*AP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*TP*GP*AP*CP*CP*TP*TP*TP*TP*CP*GP*G)-3'), Nuclear receptor subfamily 4 group A member 2, ...
Authors:Zhao, M, Xu, T, Wang, N, Guo, Y, Liu, J.
Deposit date:2022-01-18
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Integrative analysis reveals structural basis for transcription activation of Nurr1 and Nurr1-RXR alpha heterodimer.
Proc.Natl.Acad.Sci.USA, 119, 2022
7Y6C
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BU of 7y6c by Molmil
Crystal structure of the EscE/EsaG/EsaH complex
Descriptor: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
Authors:Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
Deposit date:2022-06-18
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
7Y6B
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BU of 7y6b by Molmil
Crystal structure of the EscE/EsaH complex
Descriptor: EscE/YscE/SsaE family type III secretion system needle protein co-chaperone, EscG/YscG/SsaH family type III secretion system needle protein co-chaperone
Authors:Zeng, Z.X, Xiao, S.B, Liao, L.J, Zhou, Y.Z.
Deposit date:2022-06-18
Release date:2022-07-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Secreted in a Type III Secretion System-Dependent Manner, EsaH and EscE Are the Cochaperones of the T3SS Needle Protein EsaG of Edwardsiella piscicida.
Mbio, 13, 2022
8INP
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BU of 8inp by Molmil
A reversible glycosyltransferase of tectorigenin - Bc7OUGT
Descriptor: Bc7OUGT, URIDINE-5'-DIPHOSPHATE, beta-D-glucopyranose
Authors:Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
4M5B
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BU of 4m5b by Molmil
Crystal Structure of an Truncated Transition Metal Transporter
Descriptor: Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL, NICKEL (II) ION
Authors:Yu, Y.
Deposit date:2013-08-08
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
5FHZ
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BU of 5fhz by Molmil
Human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid
Descriptor: Aldehyde dehydrogenase family 1 member A3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RETINOIC ACID
Authors:Moretti, A, Rizzi, M, Garavaglia, S.
Deposit date:2015-12-22
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human aldehyde dehydrogenase 1A3 complexed with NAD(+) and retinoic acid.
Sci Rep, 6, 2016
8ITA
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BU of 8ita by Molmil
A reversible glycosyltransferase of tectorigenin - Bc7OUGT complexed with UDP and tectorigenin
Descriptor: 3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one, Bc7OUGT, URIDINE-5'-DIPHOSPHATE
Authors:Zhang, Z.Y, Lu, L, Guan, Z.F, Cheng, W.J.
Deposit date:2023-03-22
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Plant Biotechnol J, 21, 2023
7D6E
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BU of 7d6e by Molmil
Structural insights into membrane remodeling by SNX1
Descriptor: Sorting nexin-1
Authors:Zhang, Y, Pang, X, Sun, F.
Deposit date:2020-09-30
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structural insights into membrane remodeling by SNX1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7D6D
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BU of 7d6d by Molmil
Structural insights into membrane remodeling by SNX1
Descriptor: Sorting nexin-1
Authors:Zhang, Y, Pang, X, Sun, F.
Deposit date:2020-09-30
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structural insights into membrane remodeling by SNX1.
Proc.Natl.Acad.Sci.USA, 118, 2021
2KFU
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BU of 2kfu by Molmil
PknB-phosphorylated Rv1827
Descriptor: Rv1827 pThr 22
Authors:Smerdon, S.J, Nott, T.J, Kelly, G.
Deposit date:2009-02-27
Release date:2009-06-16
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis.
Sci.Signal., 2, 2009
2KJD
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BU of 2kjd by Molmil
Solution structure of extended PDZ2 domain from NHERF1 (150-270)
Descriptor: Sodium/hydrogen exchange regulatory cofactor NHE-RF1
Authors:Bhattacharya, S, Cowburn, D, Bu, Z.
Deposit date:2009-05-27
Release date:2009-12-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A dynamic intramolecular conformational switch autoregulates the scaffolding protein NHERF1
To be Published
3QD2
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BU of 3qd2 by Molmil
Crystal structure of mouse PERK kinase domain
Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Wenjun, C, Jingzhi, L, David, R, Bingdong, S.
Deposit date:2011-01-17
Release date:2011-04-27
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The structure of the PERK kinase domain suggests the mechanism for its activation.
Acta Crystallogr.,Sect.D, 67, 2011
7F1N
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BU of 7f1n by Molmil
Beta-Glucosidase
Descriptor: Beta-galactosidase, MAGNESIUM ION
Authors:Anke, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14000368 Å)
Cite:Structural and Catalytic Characterization of TsBGL, a beta-Glucosidase From Thermofilum sp. ex4484_79.
Front Microbiol, 12, 2021
7F3M
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BU of 7f3m by Molmil
Crystal structure of FGFR4 kinase domain with PRN1371
Descriptor: 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION
Authors:Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H.
Deposit date:2021-06-16
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
Descriptor: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
Deposit date:2021-11-18
Release date:2022-02-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
7XZO
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BU of 7xzo by Molmil
Formate-tetrahydrofolate ligase in complex with ATP
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZN
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BU of 7xzn by Molmil
Formate-tetrahydrofolate ligase from Peptostreptococcus anaerobius
Descriptor: 1,2-ETHANEDIOL, Formate--tetrahydrofolate ligase, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7K93
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BU of 7k93 by Molmil
DENV2 NS1 in complex with neutralizing 2B7 single chain Fab variable region (scFv)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 single chain fab variable region, Non-structural protein 1
Authors:Akey, D.L, Smith, J.L.
Deposit date:2020-09-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
7XZP
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BU of 7xzp by Molmil
Formate-tetrahydrofolate ligase in complex with berberine
Descriptor: BERBERINE, Formate--tetrahydrofolate ligase, PROLINE, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
3QK9
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BU of 3qk9 by Molmil
Yeast Tim44 C-terminal domain complexed with Cymal-3
Descriptor: CHLORIDE ION, Mitochondrial import inner membrane translocase subunit TIM44
Authors:Cui, W, Josyula, R, Fu, Z, Sha, B.
Deposit date:2011-01-31
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Membrane Binding Mechanism of Yeast Mitochondrial Peripheral Membrane Protein TIM44.
Protein Pept.Lett., 18, 2011
5VER
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BU of 5ver by Molmil
MOUSE KYNURENINE AMINOTRANSFERASE III, RE-REFINEMENT OF THE PDB STRUCTURE 3E2Z
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2017-11-29
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
Descriptor: Nanobody Nb-007, Spike protein S1
Authors:Yang, J, Lin, S, Sun, H.L, Lu, G.W.
Deposit date:2021-11-20
Release date:2022-06-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022

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