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7X4I
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BU of 7x4i by Molmil
Crystal structure of nanobody aSA3 in complex with dimer SARS-CoV-1 RBD
Descriptor: Spike glycoprotein, nanobody aSA3
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:A bispecific nanobody dimer broadly neutralizes SARS-CoV-1 & 2 variants of concern and offers substantial protection against Omicron via low-dose intranasal administration.
Cell Discov, 8, 2022
7BTN
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BU of 7btn by Molmil
Crystal structure of human inorganic pyrophosphatase with metal ions
Descriptor: Inorganic pyrophosphatase, MAGNESIUM ION
Authors:Hu, F, Huang, Z, Li, L.
Deposit date:2020-04-02
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
Biochem.Biophys.Res.Commun., 533, 2020
7VPN
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BU of 7vpn by Molmil
Crystal Structure of the dioxygenase CcTet from Coprinopsis cinereain in complex with Mn(II) and N-Oxalylglycine
Descriptor: CcTet molecule, MANGANESE (II) ION, N-OXALYLGLYCINE
Authors:Mu, Y.J, Zhang, L, Zhang, L.
Deposit date:2021-10-17
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A fungal dioxygenase CcTet serves as a eukaryotic 6mA demethylase on duplex DNA.
Nat.Chem.Biol., 18, 2022
7CMO
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BU of 7cmo by Molmil
Crystal structure of human inorganic pyrophosphatase
Descriptor: Inorganic pyrophosphatase
Authors:Hu, F, Huang, Z, Li, L.
Deposit date:2020-07-28
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
Biochem.Biophys.Res.Commun., 533, 2020
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2011-08-25
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8001 Å)
Cite:Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
3U31
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BU of 3u31 by Molmil
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-10-04
Release date:2011-11-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
7Y86
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BU of 7y86 by Molmil
CcpS mutant
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-22
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
7Y8Z
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BU of 7y8z by Molmil
CcpS
Descriptor: UPF0297 protein A7J08_00425
Authors:Tang, J.S, Ran, T.T, Wang, W.W, Fan, H.J.
Deposit date:2022-06-24
Release date:2023-05-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A link between STK signalling and capsular polysaccharide synthesis in Streptococcus suis.
Nat Commun, 14, 2023
3U3D
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BU of 3u3d by Molmil
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
Descriptor: GLYCEROL, Transcriptional regulatory protein sir2 homologue, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-10-05
Release date:2011-11-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
3R1B
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BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3RIG
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BU of 3rig by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION, ...
Authors:Zhou, Y.
Deposit date:2011-04-13
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3RIY
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BU of 3riy by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
Descriptor: NAD-dependent deacetylase sirtuin-5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-04-14
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3R1A
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BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
7VO8
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BU of 7vo8 by Molmil
Structure of AtHPPD complexed with LSY-1
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, N-[6-[[9-(dimethylamino)-12H-benzo[a]phenoxazin-5-yl]amino]hexyl]-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[oxidanyl(oxidanylidene)-$l^4-azanyl]benzamide
Authors:Yang, G.-F, Dong, J.
Deposit date:2021-10-12
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In vivo diagnostics of abiotic plant stress responses via in situ real-time fluorescence imaging
Plant Physiol., 190, 2022
8XN7
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BU of 8xn7 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
Descriptor: 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Huang, W.X, Liu, R, Ding, K.
Deposit date:2023-12-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
2QIC
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BU of 2qic by Molmil
Crystal Structure of the ING1 PHD Finger in complex with a Histone H3K4ME3 peptide
Descriptor: H3K4ME3 PEPTIDE, Inhibitor of growth protein 1, ZINC ION
Authors:Pena, P.V, Champagne, K, Zhao, R, Kutateladze, T.G.
Deposit date:2007-07-03
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Histone H3K4me3 binding is required for the DNA repair and apoptotic activities of ING1 tumor suppressor.
J.Mol.Biol., 380, 2008
2RPN
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BU of 2rpn by Molmil
A crucial role for high intrinsic specificity in the function of yeast SH3 domains
Descriptor: Actin-binding protein, Actin-regulating kinase 1
Authors:Stollar, E.J, Garcia, B, Chong, A, Forman-Kay, J, Davidson, A.
Deposit date:2008-06-12
Release date:2009-06-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural, functional, and bioinformatic studies demonstrate the crucial role of an extended peptide binding site for the SH3 domain of yeast Abp1p
J.Biol.Chem., 284, 2009
2HEN
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BU of 2hen by Molmil
Crystal Structure of the EphB2 Receptor Kinase domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ephrin type-B receptor 2, MAGNESIUM ION
Authors:Wybenga-Groot, L.E, Sicheri, F, Pawson, T.
Deposit date:2006-06-21
Release date:2007-02-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A change in conformational dynamics underlies the activation of Eph receptor tyrosine kinases
EMBO J., 25, 2006
3UAS
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BU of 3uas by Molmil
Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F.
Deposit date:2011-10-21
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
2HWZ
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BU of 2hwz by Molmil
Fab fragment of Humanized anti-viral antibody MEDI-493 (Synagis TM)
Descriptor: Immunoglobulin Fab heavy chain, Immunoglobulin Fab light chain
Authors:Braden, B.
Deposit date:2006-08-02
Release date:2007-08-14
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a single tryptophan residue as critical for binding activity in a humanized monoclonal antibody against respiratory syncytial virus
To be Published
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
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:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
4F56
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BU of 4f56 by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
Descriptor: 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid, NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2012-05-11
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
7WUI
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BU of 7wui by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
Descriptor: Adhesion G-protein coupled receptor G2,mCherry, 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:Guo, S.C, He, Q.T, Xiao, P, Sun, J.P, Yu, X.
Deposit date:2022-02-08
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022
7WUQ
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BU of 7wuq by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
Descriptor: Adhesion G-protein coupled receptor G2,mCherry, 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:He, Q.T, Guo, S.C, Xiao, P, Sun, J.P, Yu, X, Gou, L, Kong, L.L, Zhang, L.
Deposit date:2022-02-09
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022
7WUJ
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BU of 7wuj by Molmil
Tethered peptide activation mechanism of adhesion GPCRs ADGRG2 and ADGRG4
Descriptor: Adhesion G-protein coupled receptor G4,Uncharacterized protein, 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:Guo, S.C, Huang, S.M, He, Q.T, Xiao, P, Sun, J.P, Yu, X.
Deposit date:2022-02-08
Release date:2022-04-27
Last modified:2022-05-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tethered peptide activation mechanism of the adhesion GPCRs ADGRG2 and ADGRG4.
Nature, 604, 2022

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