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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
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 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
5WHG
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BU of 5whg by Molmil
Vms1 mitochondrial localization core
Descriptor: Protein VMS1, ZINC ION
Authors:Fredrickson, E.K, Schubert, H.L, Rutter, J, Hill, C.P.
Deposit date:2017-07-17
Release date:2017-11-15
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sterol Oxidation Mediates Stress-Responsive Vms1 Translocation to Mitochondria.
Mol. Cell, 68, 2017
3QWQ
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BU of 3qwq by Molmil
Crystal structure of the extracellular domain of the epidermal growth factor receptor in complex with an adnectin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADNECTIN, ...
Authors:Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
Descriptor: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
Authors:Wei, A, Sheriff, S.
Deposit date:2011-02-28
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
3RT0
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BU of 3rt0 by Molmil
Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA)
Descriptor: Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3RT2
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BU of 3rt2 by Molmil
Crystal structure of apo-PYL10
Descriptor: Abscisic acid receptor PYL10
Authors:Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins
Mol.Cell, 42, 2011
3T46
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BU of 3t46 by Molmil
Crystal structure of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D, SODIUM ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T49
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BU of 3t49 by Molmil
Crystal structure of truncated form of Staphylococcal Complement Inhibitor B (SCIN-B) at 1.5 Angstrom
Descriptor: Fibrinogen-binding protein, GLYCEROL, SULFATE ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T47
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BU of 3t47 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.3 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T48
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BU of 3t48 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T4A
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BU of 3t4a by Molmil
Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution
Descriptor: Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ...
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
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
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
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
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
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Steffek, M.
Deposit date:2012-04-04
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.174 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
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
4H6I
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BU of 4h6i by Molmil
Crystal Structure of Staphylococcal Complement Inhibitor SCIN-B
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 (3.091 Å)
Cite:A Structurally Dynamic N-terminal Helix Is a Key Functional Determinant in Staphylococcal Complement Inhibitor (SCIN) Proteins.
J.Biol.Chem., 288, 2013

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