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5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Descriptor: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
6IHG
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BU of 6ihg by Molmil
N terminal domain of Mycobacterium avium complex Lon protease
Descriptor: Lon protease
Authors:Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H.
Deposit date:2018-09-29
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
7M6F
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BU of 7m6f by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG1-22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG1-22 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6G
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BU of 7m6g by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG7-15
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-15 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6I
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BU of 7m6i by Molmil
Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG1-24
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG1-24 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6E
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BU of 7m6e by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, BG10-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BG10-19 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6H
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BU of 7m6h by Molmil
Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, BG7-20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BG7-20 Fab Heavy Chain, BG7-20 Fab Light Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7M6D
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BU of 7m6d by Molmil
Structure of the SARS-CoV-2 RBD in complex with neutralizing antibodies BG4-25 and CR3022
Descriptor: BG4-25 Fab Heavy Chain, BG4-25 Fab Light Chain, CR3022 Fab Heavy Chain, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2021-03-25
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:B cell genomics behind cross-neutralization of SARS-CoV-2 variants and SARS-CoV.
Cell, 184, 2021
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
Descriptor: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
Deposit date:2021-11-18
Release date:2022-02-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
5GPL
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BU of 5gpl by Molmil
Crystal structure of Ccp1
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
1AH7
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BU of 1ah7 by Molmil
PHOSPHOLIPASE C FROM BACILLUS CEREUS
Descriptor: PHOSPHOLIPASE C, ZINC ION
Authors:Greaves, R.
Deposit date:1997-04-14
Release date:1997-12-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:High-resolution (1.5 A) crystal structure of phospholipase C from Bacillus cereus.
Nature, 338, 1989
5KUI
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BU of 5kui by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with calcium.
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KWJ
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BU of 5kwj by Molmil
M.tb Ag85C modified at C209 by amino-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(4-aminophenyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
6TSB
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BU of 6tsb by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
Descriptor: DI(HYDROXYETHYL)ETHER, Peroxiredoxin
Authors:Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
Deposit date:2019-12-20
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
6NIR
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BU of 6nir by Molmil
Crystal structure of a GII.4 norovirus HOV protease
Descriptor: HOV protease, HOV protease fragment
Authors:Prasad, B.V.V, Hu, L.
Deposit date:2018-12-31
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:GII.4 Norovirus Protease Shows pH-Sensitive Proteolysis with a Unique Arg-His Pairing in the Catalytic Site.
J. Virol., 93, 2019
8IVB
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BU of 8ivb by Molmil
K113-Ubiquitinated BAK
Descriptor: Bcl-2 homologous antagonist/killer, Ubiquitin
Authors:Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z.
Deposit date:2023-03-26
Release date:2024-01-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
5KUJ
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BU of 5kuj by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with magnesium.
Descriptor: Calcium uniporter protein, mitochondrial, MAGNESIUM ION
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
5KWI
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BU of 5kwi by Molmil
M.tb Ag85C modified at C209 by adamantyl-ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ~{N}-(1-adamantyl)-2-selanyl-benzamide
Authors:Goins, C.M, Ronning, D.R.
Deposit date:2016-07-18
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives.
ACS Infect Dis, 3, 2017
5Z9R
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BU of 5z9r by Molmil
NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
Descriptor: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
Authors:Dou, S, Ma, X, Li, D, Liu, C.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
3H7V
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BU of 3h7v by Molmil
CRYSTAL STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM THERMOSYNECHOCOCCUS ELONGATUS BP-1 complexed with MG in the active site
Descriptor: MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-28
Release date:2009-05-12
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
4X1K
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BU of 4x1k by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
Descriptor: 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Parris, K.D.
Deposit date:2014-11-24
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
5KUG
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BU of 5kug by Molmil
Human mitochondrial calcium uniporter (residues 72-189) crystal structure with lithium
Descriptor: Calcium uniporter protein, mitochondrial
Authors:Mok, M.C.Y, Lee, S.K, Junop, M.S, Stathopulos, P.B.
Deposit date:2016-07-13
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mitochondrial Calcium Uniporter Regulation by Divalent Cations.
Cell Chem Biol, 23, 2016
3OWT
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BU of 3owt by Molmil
Crystal structure of S. cerevisiae RAP1-Sir3 complex
Descriptor: DNA-binding protein RAP1, Regulatory protein SIR3
Authors:Chen, Y, Yang, Y, Lei, M.
Deposit date:2010-09-20
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
8JEX
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BU of 8jex by Molmil
Cryo-EM structure of alpha-synuclein gS87 fibril
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain
Authors:Xia, W.C, Sun, Y.P, Liu, C.
Deposit date:2023-05-16
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024

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