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3W8H
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BU of 3w8h by Molmil
Crystal structure of CCM3 in complex with the C-terminal regulatory domain of STK25
Descriptor: Programmed cell death protein 10, SULFATE ION, Serine/threonine-protein kinase 25
Authors:Xu, X, Wang, D.C, Ding, J.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Structural Basis for the Unique Heterodimeric Assembly between Cerebral Cavernous Malformation 3 and Germinal Center Kinase III.
Structure, 21, 2013
3V3L
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BU of 3v3l by Molmil
Crystal structure of human RNF146 WWE domain in complex with iso-ADPRibose
Descriptor: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146
Authors:Wang, Z, Cheng, Z, Xu, W.
Deposit date:2011-12-13
Release date:2012-02-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Recognition of the iso-ADP-ribose moiety in poly(ADP-ribose) by WWE domains suggests a general mechanism for poly(ADP-ribosyl)ation-dependent ubiquitination.
Genes Dev., 26, 2012
3UVE
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BU of 3uve by Molmil
Crystal structure of Carveol dehydrogenase ((+)-trans-carveol dehydrogenase) from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, Carveol dehydrogenase ((+)-trans-carveol dehydrogenase), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-29
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3WA5
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BU of 3wa5 by Molmil
Crystal Structure of type VI peptidoglycan muramidase effector Tse3 in complex with its cognate immunity protein Tsi3
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Tse3-specific immunity protein, ...
Authors:Ding, J, Wang, T, Liu, W, Wang, D.C.
Deposit date:2013-04-26
Release date:2013-10-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complex structure of type VI peptidoglycan muramidase effector and a cognate immunity protein.
Acta Crystallogr.,Sect.D, 69, 2013
3TLF
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BU of 3tlf by Molmil
Crystal structure of an enoyl-CoA hydratase/isomerase from Mycobacterium paratuberculosis
Descriptor: 1,2-ETHANEDIOL, enoyl-CoA hydratase/isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-29
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TJR
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BU of 3tjr by Molmil
Crystal structure of a Rv0851c ortholog short chain dehydrogenase from Mycobacterium paratuberculosis
Descriptor: UNKNOWN LIGAND, short chain dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-24
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TDE
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BU of 3tde by Molmil
Crystal structure of S-adenosylmethionine synthetase Rv1392 from Mycobacterium tuberculosis
Descriptor: S-adenosylmethionine synthase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-10
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TH9
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BU of 3th9 by Molmil
Crystal Structure of HIV-1 Protease Mutant Q7K V32I L63I with a cyclic sulfonamide inhibitor
Descriptor: Gag-Pol polyprotein, tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
Authors:Orth, P.
Deposit date:2011-08-18
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.
J.Med.Chem., 54, 2011
3G42
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BU of 3g42 by Molmil
Crystal Structure of TACE with Tryptophan Sulfonamide Derivative Inhibitor
Descriptor: ADAM 17, N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan, ZINC ION
Authors:Xu, W, Park, K, Gopalsamy, A, Aplasca, A, Zhang, Y.H, Levin, J.I.
Deposit date:2009-02-03
Release date:2009-05-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem., 17, 2009
3CCN
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BU of 3ccn by Molmil
X-ray structure of c-Met with triazolopyridazine inhibitor.
Descriptor: 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor
Authors:Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F.
Deposit date:2008-02-26
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase.
J.Med.Chem., 51, 2008
6M17
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BU of 6m17 by Molmil
The 2019-nCoV RBD/ACE2-B0AT1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q.
Deposit date:2020-02-24
Release date:2020-03-11
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6J76
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BU of 6j76 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP
Descriptor: Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z.
Deposit date:2019-01-17
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-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, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
Descriptor: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-04-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
8H77
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BU of 8h77 by Molmil
Hsp90-AhR-p23-XAP2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Wen, Z.L, Zhai, Y.J, Zhu, Y, Sun, F.
Deposit date:2022-10-19
Release date:2023-01-04
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the cytosolic AhR complex.
Structure, 31, 2023
5YNW
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BU of 5ynw by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP and INN
Descriptor: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5Y2G
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BU of 5y2g by Molmil
Structure of MBP tagged GBS CAMP
Descriptor: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2017-07-25
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
6J75
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BU of 6j75 by Molmil
Structure of 3,6-anhydro-L-galactose Dehydrogenase
Descriptor: Aldehyde dehydrogenase A
Authors:Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z.
Deposit date:2019-01-17
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
1G69
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BU of 1g69 by Molmil
THIAMIN PHOSPHATE SYNTHASE
Descriptor: 2-METHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE, MAGNESIUM ION, ...
Authors:Peapus, D.H, Chiu, H.-J, Campobasso, N, Reddick, J.J, Begley, T.P, Ealick, S.E.
Deposit date:2000-11-03
Release date:2001-09-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of the enzyme-substrate, enzyme-intermediate, and enzyme-product complexes of thiamin phosphate synthase.
Biochemistry, 40, 2001
2NDI
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BU of 2ndi by Molmil
Solution structure of the toxin ISTX-I from Ixodes scapularis
Descriptor: Putative secreted salivary protein
Authors:Hu, K.
Deposit date:2016-06-01
Release date:2017-06-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A sodium channel inhibitor ISTX-I with a novel structure provides a new hint at the evolutionary link between two toxin folds.
Sci Rep, 6, 2016
5YNT
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BU of 5ynt by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903
Descriptor: DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, IMIDAZOLE, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
5YNU
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BU of 5ynu by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with INN
Descriptor: 3-[(Z)-2-isocyanoethenyl]-1H-indole, DIMETHYLALLYL DIPHOSPHATE, GLYCEROL, ...
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
8WU1
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BU of 8wu1 by Molmil
Cryo-EM structure of CB1-beta-arrestin1 complex
Descriptor: Beta-arrestin-1, Cannabinoid receptor 1,Vasopressin V2 receptor, Fab30 heavy chain, ...
Authors:Liao, Y, Zhang, H, Shen, Q, Cai, C.
Deposit date:2023-10-19
Release date:2024-03-20
Last modified:2024-10-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Snapshot of the cannabinoid receptor 1-arrestin complex unravels the biased signaling mechanism.
Cell, 186, 2023
5YNV
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BU of 5ynv by Molmil
Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, aromatic prenyltransferase
Authors:Wang, J, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-10-25
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis.
Biochem. Biophys. Res. Commun., 495, 2018
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Padyana, A.K, Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019

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