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8EW6
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BU of 8ew6 by Molmil
Anti-human CD8 VHH complex with CD8 alpha
Descriptor: Anti-CD8 alpha VHH, T-cell surface glycoprotein CD8 alpha chain
Authors:Kiefer, J.R, Williams, S, Davies, C.W, Koerber, J.T, Sriraman, S.K, Yin, Y.P.
Deposit date:2022-10-21
Release date:2022-11-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Development of an 18 F-labeled anti-human CD8 VHH for same-day immunoPET imaging.
Eur J Nucl Med Mol Imaging, 50, 2023
7SSM
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BU of 7ssm by Molmil
Crystal structure of human STING R232 in complex with compound 11
Descriptor: 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein
Authors:Sack, J.S, Critton, D.A.
Deposit date:2021-11-11
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization.
J.Med.Chem., 65, 2022
7F6L
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BU of 7f6l by Molmil
Crystal structure of human MUS81-EME2 complex
Descriptor: Crossover junction endonuclease MUS81, Probable crossover junction endonuclease EME2
Authors:Hua, Z.K, Zhang, D.P, Yuan, C, Lin, Z.H.
Deposit date:2021-06-25
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the human MUS81-EME2 complex.
Structure, 30, 2022
7V2Z
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BU of 7v2z by Molmil
ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ...
Authors:Lin, M.M, Yang, H.T.
Deposit date:2021-08-10
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10101676 Å)
Cite:Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
Authors:Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
Deposit date:2013-07-29
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
1VKL
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BU of 1vkl by Molmil
RABBIT MUSCLE PHOSPHOGLUCOMUTASE
Descriptor: NICKEL (II) ION, PHOSPHOGLUCOMUTASE
Authors:Ray Junior, W.J, Baranidharan, S, Liu, Y.
Deposit date:1996-07-03
Release date:1997-01-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural changes at the metal ion binding site during the phosphoglucomutase reaction.
Biochemistry, 32, 1993
5VIF
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BU of 5vif by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
5VIE
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BU of 5vie by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-07-10
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
1SZJ
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BU of 1szj by Molmil
STRUCTURE OF HOLO-GLYCERALDEHYDE-3-PHOSPHATE-DEHYDROGENASE FROM PALINURUS VERSICOLOR REFINED 2.0 ANGSTROM RESOLUTION
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Song, S, Li, J, Lin, Z.
Deposit date:1997-02-04
Release date:1998-09-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Preliminary crystallographic studies of lobster D-glyceraldehyde-3-phosphate dehydrogenase and the modified enzyme carrying the fluorescent derivative.
J.Mol.Biol., 171, 1983
5C10
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BU of 5c10 by Molmil
Nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6
Descriptor: Gene 2 protein
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-12
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
5C2D
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BU of 5c2d by Molmil
K428A mutant gp2c of large terminase subunit from bacteriophage sf6 with calcium
Descriptor: CALCIUM ION, Gene 2 protein
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-15
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
5C15
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BU of 5c15 by Molmil
K428A mutant nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6 with Manganese
Descriptor: Gene 2 protein, MANGANESE (II) ION
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-12
Release date:2015-10-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
5C12
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BU of 5c12 by Molmil
Nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6
Descriptor: Gene 2 protein, MAGNESIUM ION
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-12
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.517 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
5C2F
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BU of 5c2f by Molmil
K428A mutant nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6 with Manganese and beta-thujaplicinol
Descriptor: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, Gene 2 protein, MANGANESE (II) ION
Authors:Zhao, H, Tang, L.
Deposit date:2015-06-15
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Two distinct modes of metal ion binding in the nuclease active site of a viral DNA-packaging terminase: insight into the two-metal-ion catalytic mechanism.
Nucleic Acids Res., 43, 2015
5CET
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BU of 5cet by Molmil
Crystal structure of Rv2837c
Descriptor: Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION
Authors:Wang, F, He, Q, Zhu, D, Liu, S, Gu, L.
Deposit date:2015-07-07
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase
J.Biol.Chem., 291, 2016
2M5E
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BU of 2m5e by Molmil
Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2
Descriptor: CALCIUM ION, Calmodulin, Sodium channel protein type 2 subunit alpha
Authors:Fowler, C.A, Feldkamp, M.D, Yu, L, Shea, M.A.
Deposit date:2013-02-21
Release date:2014-07-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Calcium triggers reversal of calmodulin on nested anti-parallel sites in the IQ motif of the neuronal voltage-dependent sodium channel NaV1.2.
Biophys. Chem., 224, 2017
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
Descriptor: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
Authors:Pan, L, Xie, X.
Deposit date:2015-01-12
Release date:2015-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
2NPP
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BU of 2npp by Molmil
Structure of the Protein Phosphatase 2A Holoenzyme
Descriptor: MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ...
Authors:Xu, Y, Chen, Y, Xing, Y, Chao, Y, Shi, Y.
Deposit date:2006-10-28
Release date:2006-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the protein phosphatase 2A holoenzyme
Cell(Cambridge,Mass.), 127, 2006
5EJL
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BU of 5ejl by Molmil
MrkH, A novel c-di-GMP dependence transcription regulatory factor.
Descriptor: 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Klebsiella pneumoniae genome assembly NOVST, ...
Authors:Wang, F, Zhu, D, Gu, L.
Deposit date:2015-11-02
Release date:2016-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The PilZ domain of MrkH represents a novel DNA binding motif
Protein Cell, 7, 2016
5FOB
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BU of 5fob by Molmil
Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COMPLEMENT C3 BETA CHAIN, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO9
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BU of 5fo9 by Molmil
Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
2P64
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BU of 2p64 by Molmil
D domain of b-TrCP
Descriptor: CADMIUM ION, F-box/WD repeat protein 1A
Authors:Neculai, D, Orlicky, S, Ceccarelli, D.
Deposit date:2007-03-16
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Suprafacial orientation of the SCFCdc4 dimer accommodates multiple geometries for substrate ubiquitination.
Cell(Cambridge,Mass.), 129, 2007

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