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4EI4
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BU of 4ei4 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 20
Descriptor: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
Authors:Eigenbrot, C, Steffek, M.
Deposit date:2012-04-04
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4F08
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BU of 4f08 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F09
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BU of 4f09 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4H6H
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BU of 4h6h by Molmil
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B(4-85)
Descriptor: Fibrinogen-binding protein
Authors:Garcia, B.L, Geisbrecht, B.V.
Deposit date:2012-09-19
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5024 Å)
Cite:A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins.
J.Biol.Chem., 288, 2013
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
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
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
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
3WRO
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BU of 3wro by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
Descriptor: MANGANESE (II) ION, Non-capsid protein NS-1
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2014-02-27
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
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
3WRN
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BU of 3wrn by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
Descriptor: Non-capsid protein NS-1, SODIUM ION, ZINC ION
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2014-02-27
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
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
3WRS
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BU of 3wrs by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
Descriptor: COBALT (II) ION, Non-capsid protein NS-1
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2014-02-27
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
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
3WRR
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BU of 3wrr by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
Descriptor: COPPER (II) ION, Non-capsid protein NS-1
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2014-02-27
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
3WRQ
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BU of 3wrq by Molmil
Minute virus of mice non-structural protein-1N-terminal nuclease domain reveals a unique Zn2+ coordination in the active site pocket and shows a novel mode of DNA recognition at the origin of replication
Descriptor: NICKEL (II) ION, Non-capsid protein NS-1
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2014-02-27
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structures of minute virus of mice replication initiator protein N-terminal domain: Insights into DNA nicking and origin binding.
Virology, 476C, 2014
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
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
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
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

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