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5WG5
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BU of 5wg5 by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG224061
Descriptor: 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bouley, R, Tesmer, J.J.G.
Deposit date:2017-07-13
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol. Pharmacol., 92, 2017
5WG4
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BU of 5wg4 by Molmil
Human GRK2 in complex with Gbetagamma subunits and CCG257284
Descriptor: 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Bouley, R, Tesmer, J.J.G.
Deposit date:2017-07-13
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol. Pharmacol., 92, 2017
4J1N
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BU of 4j1n by Molmil
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Descriptor: 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
Deposit date:2013-02-01
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
7C01
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BU of 7c01 by Molmil
Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ...
Authors:Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J.
Deposit date:2020-04-29
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2.
Nature, 584, 2020
8K37
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BU of 8k37 by Molmil
Structure of the bacteriophage lambda neck
Descriptor: Head-tail connector protein FII, Tail tube protein, Tail tube terminator protein
Authors:Xiao, H, Tan, L, Cheng, L.P, Liu, H.R.
Deposit date:2023-07-14
Release date:2023-11-15
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
8K38
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BU of 8k38 by Molmil
The structure of bacteriophage lambda portal-adaptor
Descriptor: Head completion protein, Portal protein B
Authors:Xiao, H, Tan, L, Cheng, L.P, Liu, H.R.
Deposit date:2023-07-14
Release date:2023-11-15
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
8K39
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BU of 8k39 by Molmil
Structure of the bacteriophage lambda portal vertex
Descriptor: Major capsid protein, Portal protein B
Authors:Xiao, H, Tan, L, Cheng, L.P, Liu, H.R.
Deposit date:2023-07-14
Release date:2023-11-15
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
8K36
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BU of 8k36 by Molmil
Structure of the bacteriophage lambda tail tube
Descriptor: Tail tube protein
Authors:Xiao, H, Tan, L, Cheng, L.P, Liu, H.R.
Deposit date:2023-07-14
Release date:2023-11-15
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
8K35
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BU of 8k35 by Molmil
Structure of the bacteriophage lambda tail tip complex
Descriptor: IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ...
Authors:Xiao, H, Tan, L, Cheng, L.P, Liu, H.R.
Deposit date:2023-07-14
Release date:2023-11-15
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structure of the siphophage neck-Tail complex suggests that conserved tail tip proteins facilitate receptor binding and tail assembly.
Plos Biol., 21, 2023
8ZVI
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BU of 8zvi by Molmil
Structure of the bacteriophage T5 capsid
Descriptor: Decoration protein, Major capsid protein
Authors:Peng, Y, Liu, H.R.
Deposit date:2024-06-11
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
6V3W
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BU of 6v3w by Molmil
Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397
Descriptor: 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12
Authors:Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W.
Deposit date:2019-11-26
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity.
Cancer Cell, 39, 2021
2I9Y
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BU of 2i9y by Molmil
Solution structure of Arabidopsis thaliana protein At1g70830, a member of the major latex protein family
Descriptor: major latex protein-like protein 28 or MLP-like protein 28
Authors:Volkman, B.F, de la Cruz, N.B, Lytle, B.L, Peterson, F.C, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-09-06
Release date:2006-09-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structures of two Arabidopsis thaliana major latex proteins represent novel helix-grip folds.
Proteins, 76, 2009
5GZR
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BU of 5gzr by Molmil
Zika virus E protein complexed with a neutralizing antibody Z23-Fab
Descriptor: Z23 Fab heavy chain, Z23 Fab light chain, structural protein E, ...
Authors:Gao, G.G, Shi, Y, Peng, R, Liu, S.
Deposit date:2016-10-01
Release date:2016-11-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
4ICQ
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BU of 4icq by Molmil
Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps
Descriptor: Aminopeptidase PepS, ZINC ION
Authors:Ta, M.H, Kim, K.K, Lee, S.
Deposit date:2012-12-11
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based elucidation of the regulatory mechanism for aminopeptidase activity.
Acta Crystallogr.,Sect.D, 69, 2013
4K6J
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BU of 4k6j by Molmil
Human cohesin inhibitor WapL
Descriptor: ACETATE ION, SULFATE ION, Wings apart-like protein homolog
Authors:Tomchick, D.R, Yu, H, Ouyang, Z.
Deposit date:2013-04-16
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6205 Å)
Cite:Structure of the human cohesin inhibitor Wapl.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ICS
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BU of 4ics by Molmil
Crystal structure of PepS from Streptococcus pneumoniae in complex with a substrate
Descriptor: Aminopeptidase PepS, GLYCINE, TRYPTOPHAN, ...
Authors:Lee, S, Kim, K.K, Ta, M.H.
Deposit date:2012-12-11
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-based elucidation of the regulatory mechanism for aminopeptidase activity.
Acta Crystallogr.,Sect.D, 69, 2013
4ICR
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BU of 4icr by Molmil
Structural basis for substrate recognition and reaction mechanism of bacterial aminopeptidase peps
Descriptor: Aminopeptidase PepS, CACODYLATE ION, ZINC ION
Authors:Lee, S, Kim, K.K, Ta, M.H.
Deposit date:2012-12-11
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-based elucidation of the regulatory mechanism for aminopeptidase activity.
Acta Crystallogr.,Sect.D, 69, 2013
8WRJ
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BU of 8wrj by Molmil
glycosyltransferase UGT74AN3
Descriptor: 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Huang, W, Long, F.
Deposit date:2023-10-15
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
8WRK
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BU of 8wrk by Molmil
glycosyltransferase UGT74AN3
Descriptor: Glycosyltransferase, PICEATANNOL, URIDINE-5'-DIPHOSPHATE
Authors:Huang, W, Long, F.
Deposit date:2023-10-15
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
9FE6
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BU of 9fe6 by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae
Descriptor: MAGNESIUM ION, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
8WM9
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BU of 8wm9 by Molmil
Fzd4/DEP complex
Descriptor: CHOLESTEROL HEMISUCCINATE, Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
Authors:He, Y, Qian, Y.
Deposit date:2023-10-03
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
8WMA
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BU of 8wma by Molmil
Fzd4/DEP complex (local refined)
Descriptor: Frizzled-4, Segment polarity protein dishevelled homolog DVL-2
Authors:He, Y, Qian, Y.
Deposit date:2023-10-03
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural basis of Frizzled 4 in recognition of Dishevelled 2 unveils mechanism of WNT signaling activation.
Nat Commun, 15, 2024
9FEB
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BU of 9feb by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae in complex with NADP
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
5GV5
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BU of 5gv5 by Molmil
Crystal structure of Candida antarctica Lipase B with active Ser105 modified with a phosphonate inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, ...
Authors:Park, S.Y, Lee, H.
Deposit date:2016-09-02
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Experimental Evidence for the Enantiomeric Recognition toward a Bulky sec-Alcohol by Candida antarctica Lipase B
Acs Catalysis, 6, 2016
7X08
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BU of 7x08 by Molmil
S protein of SARS-CoV-2 in complex with 2G1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
Deposit date:2022-02-21
Release date:2022-03-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Broad ultra-potent neutralization of SARS-CoV-2 variants by monoclonal antibodies specific to the tip of RBD.
Cell Discov, 8, 2022

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PDB entries from 2024-09-18

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