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6UPI
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BU of 6upi by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe
Descriptor: (3S,6S)-3-{[4-(hydroxymethoxy)phenyl]methyl}-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nguyen, R.C.D, Yang, Y, Liu, A.
Deposit date:2019-10-17
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-like Cytochrome P450 Enzyme CYP121
Acs Catalysis, 10, 2020
6XH7
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BU of 6xh7 by Molmil
CueR-TAC without RNA
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6XH8
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BU of 6xh8 by Molmil
CueR-transcription activation complex with RNA transcript
Descriptor: COPPER (II) ION, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-06-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of copper-efflux-regulator-dependent transcription activation.
Iscience, 24, 2021
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
Descriptor: Glycoprotein,Glycoprotein,Glycoprotein
Authors:Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
Deposit date:2019-12-06
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
4GUS
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BU of 4gus by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P3221
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUR
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BU of 4gur by Molmil
Crystal structure of LSD2-NPAC with H3 in space group P21
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Histone H3.3, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUT
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BU of 4gut by Molmil
Crystal structure of LSD2-NPAC
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GU1
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BU of 4gu1 by Molmil
Crystal structure of LSD2
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GUU
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BU of 4guu by Molmil
Crystal structure of LSD2-NPAC with tranylcypromine
Descriptor: Lysine-specific histone demethylase 1B, Putative oxidoreductase GLYR1, ZINC ION, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4S1R
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BU of 4s1r by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H08.F-117225, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1Q
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BU of 4s1q by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H03+06.D-001739, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab of VRC01 light chain, Fab of VRC01-lineage antibody,45-VRC01.H03+06.D-001739 heavy chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
4S1S
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BU of 4s1s by Molmil
Crystal structure of a VRC01-lineage antibody, 45-VRC01.H5.F-185917, in complex with clade A/E HIV-1 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab of VRC01 light chain, ...
Authors:Kwon, Y.D, Yang, Y, Zhang, B, Kwong, P.D.
Deposit date:2015-01-14
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Cell(Cambridge,Mass.), 161, 2015
8J8G
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BU of 8j8g by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and cidofovir diphosphate
Descriptor: CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), DNA (5'-D(P*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*GP*AP*TP*AP*AP*CP*TP*TP*AP*AP*TP*CP*TP*CP*AP*CP*AP*TP*AP*GP*CP*AP*GP*CP*T)-3'), ...
Authors:Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C.
Deposit date:2023-05-01
Release date:2024-05-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir.
Int.J.Biol.Macromol., 270, 2024
8J8F
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BU of 8j8f by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 in complex with a DNA duplex and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*AP*GP*CP*TP*GP*CP*TP*AP*TP*GP*AP*GP*AP*TP*TP*AP*AP*GP*TP*TP*AP*T)-3'), ...
Authors:Xu, Y, Wu, Y, Wu, X, Zhang, Y, Yang, Y, Li, D, Yang, B, Gao, K, Zhang, Z, Dong, C.
Deposit date:2023-05-01
Release date:2024-05-08
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural basis of human mpox viral DNA replication inhibition by brincidofovir and cidofovir.
Int.J.Biol.Macromol., 270, 2024
4GY5
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BU of 4gy5 by Molmil
Crystal structure of the tandem tudor domain and plant homeodomain of UHRF1 with Histone H3K9me3
Descriptor: E3 ubiquitin-protein ligase UHRF1, Peptide from Histone H3.3, ZINC ION
Authors:Cheng, J, Yang, Y, Fang, J, Xiao, J, Zhu, T, Chen, F, Wang, P, Xu, Y.
Deposit date:2012-09-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.956 Å)
Cite:Structural insight into coordinated recognition of trimethylated histone H3 lysine 9 (H3K9me3) by the plant homeodomain (PHD) and tandem tudor domain (TTD) of UHRF1 (ubiquitin-like, containing PHD and RING finger domains, 1) protein
J.Biol.Chem., 288, 2013
8J85
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BU of 8j85 by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 mutant S88E in complex with ochratoxin A
Descriptor: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-04-30
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
3BU8
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BU of 3bu8 by Molmil
Crystal Structure of TRF2 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2008-01-02
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3BQO
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BU of 3bqo by Molmil
Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3BUA
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BU of 3bua by Molmil
Crystal Structure of TRF2 TRFH domain and APOLLO peptide complex
Descriptor: DNA cross-link repair 1B protein, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2008-01-02
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
6X4X
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BU of 6x4x by Molmil
B24Y DKP insulin
Descriptor: Insulin, Insulin chain A
Authors:Weiss, M.A, Yang, Y.
Deposit date:2020-05-24
Release date:2020-08-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Evolution of insulin at the edge of foldability and its medical implications.
Proc.Natl.Acad.Sci.USA, 117, 2020
7Y8M
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BU of 7y8m by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
6XV2
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BU of 6xv2 by Molmil
Full structure of RYMV P1 protein, derived from crystallographic and NMR data.
Descriptor: ZINC ION, p1
Authors:Poignavent, V, Hoh, F, Vignols, F, Demene, H, Yang, Y, Gillet, F.X.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Flexible and Original Architecture of Two Unrelated Zinc Fingers Underlies the Role of the Multitask P1 in RYMV Spread.
J.Mol.Biol., 434, 2022
6XQB
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BU of 6xqb by Molmil
SARS-CoV-2 RdRp/RNA complex
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Liu, B, Shi, W, Yang, Y.
Deposit date:2020-07-09
Release date:2020-07-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of SARS-CoV-2 RdRp/RNA complex at 3.4 Angstroms resolution
To Be Published
1MQA
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BU of 1mqa by Molmil
Crystal structure of high affinity alphaL I domain in the absence of ligand or metal
Descriptor: Integrin alpha-L
Authors:Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A.
Deposit date:2002-09-15
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
1MQ9
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BU of 1mq9 by Molmil
Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact
Descriptor: Integrin alpha-L, MANGANESE (II) ION
Authors:Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A.
Deposit date:2002-09-15
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003

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