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8HWT
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BU of 8hwt by Molmil
SARS-CoV-2 Omicron BA.2 RBD complexed with BD-604 and S304 Fab
Descriptor: BD-604 heavy chain, BD-604 light chain, S304 heavy chain, ...
Authors:He, Q.W, Xie, Y.
Deposit date:2023-01-02
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:An updated atlas of antibody evasion by SARS-CoV-2 Omicron sub-variants including BQ.1.1 and XBB.
Cell Rep Med, 4, 2023
6L8O
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BU of 6l8o by Molmil
Crystal structure of the K. lactis Rad5 (Hg-derivative)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
6L8N
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BU of 6l8n by Molmil
Crystal structure of the K. lactis Rad5
Descriptor: DNA repair protein RAD5, ZINC ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
5KF4
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BU of 5kf4 by Molmil
Crystal structure of FN3 domain (Residues P368-P466) of Human collagen XX
Descriptor: Collagen alpha-1(XX) chain
Authors:Xie, Y, Cheng, Z, Zhao, J.
Deposit date:2016-06-12
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the second fibronectin type III (FN3) domain from human collagen alpha 1 type XX
Acta Crystallogr F Struct Biol Commun, 73, 2017
4TPM
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BU of 4tpm by Molmil
Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors
Descriptor: GLYCEROL, SULFATE ION, ZINC ION, ...
Authors:Chmait, S.
Deposit date:2014-06-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
6M3C
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BU of 6m3c by Molmil
hAPC-h1573 Fab complex
Descriptor: Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, h1573 Fab H chain, ...
Authors:Wang, X, Wang, D, Zhao, X, Egner, U.
Deposit date:2020-03-03
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
6M3B
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BU of 6m3b by Molmil
hAPC-c25k23 Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, ...
Authors:Wang, X, Li, L, Zhao, X, Egner, U.
Deposit date:2020-03-03
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
1Q3H
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BU of 1q3h by Molmil
mouse CFTR NBD1 with AMP.PNP
Descriptor: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-07-29
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
6W5S
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BU of 6w5s by Molmil
NPC1 structure in GDN micelles at pH 8.0
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5V
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BU of 6w5v by Molmil
NPC1-NPC2 complex structure at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5T
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BU of 6w5t by Molmil
NPC1 structure in GDN micelles at pH 5.5, conformation a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5U
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BU of 6w5u by Molmil
NPC1 structure in GDN micelles at pH 5.5, conformation b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
6W5R
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BU of 6w5r by Molmil
NPC1 structure in Nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Yan, N, Qian, H.W, Wu, X.L.
Deposit date:2020-03-13
Release date:2020-06-17
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
1R0Z
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BU of 1r0z by Molmil
Phosphorylated Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R10
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BU of 1r10 by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP, I4122 space group
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
1R0X
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BU of 1r0x by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ATP
Descriptor: ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ...
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0Y
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BU of 1r0y by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) with ADP
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
1R0W
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BU of 1r0w by Molmil
Cystic fibrosis transmembrane conductance regulator (CFTR) nucleotide-binding domain one (NBD1) apo
Descriptor: ACETIC ACID, Cystic fibrosis transmembrane conductance regulator
Authors:Lewis, H.A, Buchanan, S.G, Burley, S.K, Conners, K, Dickey, M, Dorwart, M, Fowler, R, Gao, X, Guggino, W.B, Hendrickson, W.A.
Deposit date:2003-09-23
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of nucleotide-binding domain 1 of the cystic fibrosis transmembrane conductance regulator.
Embo J., 23, 2004
4ERE
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BU of 4ere by Molmil
crystal structure of MDM2 (17-111) in complex with compound 23
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
7TR4
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BU of 7tr4 by Molmil
MA2-MART1-HLAA0201
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA-A*02:01, ...
Authors:Yang, X, Jude, K.M, Garcia, K.C.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Facile repurposing of peptide-MHC-restricted antibodies for cancer immunotherapy.
Nat.Biotechnol., 41, 2023
1W66
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BU of 1w66 by Molmil
Structure of a lipoate-protein ligase b from Mycobacterium tuberculosis
Descriptor: DECANOIC ACID, LIPOYLTRANSFERASE
Authors:Ma, Q, Wilmanns, M.
Deposit date:2004-08-13
Release date:2005-12-08
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The Mycobacterium Tuberculosis Lipb Enzyme Functions as a Cysteine/Lysine Dyad Acyltransferase.
Proc.Natl.Acad.Sci.USA, 103, 2006
3PL9
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BU of 3pl9 by Molmil
Crystal structure of spinach minor light-harvesting complex CP29 at 2.80 angstrom resolution
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Pan, X.W, Li, M, Wan, T, Wang, L.F, Jia, C.J, Hou, Z.Q, Zhao, X.L, Zhang, J.P, Chang, W.R.
Deposit date:2010-11-14
Release date:2011-02-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into energy regulation of light-harvesting complex CP29 from spinach.
Nat.Struct.Mol.Biol., 18, 2011
6YE1
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BU of 6ye1 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021

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