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1SGW
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BU of 1sgw by Molmil
Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
Descriptor: CHLORIDE ION, SODIUM ION, putative ABC transporter
Authors:Liu, Z.J, Tempel, W, Shah, A, Chen, L, Lee, D, Kelley, L.-L.C, Dillard, B.D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-24
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Putative ABC transporter (ATP-binding protein) from Pyrococcus furiosus Pfu-867808-001
To be Published
1VJK
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BU of 1vjk by Molmil
Putative molybdopterin converting factor, subunit 1 from Pyrococcus furiosus, Pfu-562899-001
Descriptor: molybdopterin converting factor, subunit 1
Authors:Chen, L, Liu, Z.J, Tempel, W, Shah, A, Lee, D, Rose, J.P, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-03-10
Release date:2004-08-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Putative molybdopterin converting factor, subunit 1 from Pyrococcus furiosus, Pfu-562899-001 '
To be published
1XHC
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BU of 1xhc by Molmil
NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase
Authors:Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-17
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
To be published
1XI9
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BU of 1xi9 by Molmil
Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
Descriptor: PYRIDOXAL-5'-PHOSPHATE, putative transaminase
Authors:Zhou, W, Tempel, W, Shah, A, Chen, L, Liu, Z.-J, Lee, D, Lin, D, Chang, S.-H, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.-S, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-21
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
To be published
1NNQ
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BU of 1nnq by Molmil
rubrerythrin from Pyrococcus furiosus Pfu-1210814
Descriptor: Rubrerythrin, ZINC ION
Authors:Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Arendall III, W.B, Rose, J.P, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-01-14
Release date:2004-03-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural genomics of Pyrococcus furiosus: X-ray crystallography reveals 3D domain swapping in rubrerythrin
Proteins, 57, 2004
1SEN
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BU of 1sen by Molmil
Endoplasmic reticulum protein Rp19 O95881
Descriptor: CHLORIDE ION, PLATINUM (II) ION, Thioredoxin-like protein p19
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Lee, D, Dailey, T.A, Mayer, M.R, Rose, J.P, Richardson, D.C, Richardson, J.S, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-17
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Endoplasmic reticulum protein Rp19
To be Published
5AR5
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BU of 5ar5 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole
Descriptor: 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-24
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
5AR3
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BU of 5ar3 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-23
Release date:2015-10-21
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
5AR2
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BU of 5ar2 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310)
Descriptor: CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-23
Release date:2015-10-21
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
5AR7
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BU of 5ar7 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea
Descriptor: 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-24
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
5AR8
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BU of 5ar8 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide
Descriptor: 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-24
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
5AR4
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BU of 5ar4 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
Authors:Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
Deposit date:2015-09-24
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
1LR0
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BU of 1lr0 by Molmil
Pseudomonas aeruginosa TolA Domain III, Seleno-methionine Derivative
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TolA protein, ZINC ION
Authors:Witty, M, Sanz, C, Shah, A, Grossman, J.G, Mizuguchi, K, Perham, R.N, Luisi, B.
Deposit date:2002-05-14
Release date:2002-05-29
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Structure of the periplasmic domain of Pseudomonas aeruginosa TolA: evidence for an evolutionary relationship with the TonB transporter protein.
EMBO J., 21, 2002
1VKA
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BU of 1vka by Molmil
Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
Descriptor: Microtubule-associated protein RP/EB family member 1
Authors:Liu, Z.-J, Tempel, W, Schubot, F.D, Shah, A, Dailey, T.A, Mayer, M.R, Rose, J.P, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-05-10
Release date:2004-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Southeast Collaboratory for Structural Genomics: Hypothetical Human Protein Q15691 N-Terminal Fragment
TO BE PUBLISHED
1XK8
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BU of 1xk8 by Molmil
Divalent cation tolerant protein CUTA from Homo sapiens O60888
Descriptor: Divalent cation tolerant protein CUTA, SODIUM ION
Authors:Tempel, W, Chen, L, Liu, Z.-J, Lee, D, Shah, A, Dailey, T.A, Mayer, M.R, Arendall III, W.B, Rose, J.P, Dailey, H.A, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-09-27
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Divalent cation tolerant protein CUTA from Homo sapiens O60888
To be published
1YEM
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BU of 1yem by Molmil
Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus
Descriptor: Conserved hypothetical protein Pfu-838710-001, PLATINUM (II) ION, UNKNOWN ATOM OR ION
Authors:Yang, H, Chang, J, Shah, A, Ng, J.D, Liu, Z.-J, Chen, L, Lee, D, Tempel, W, Praissman, J.L, Lin, D, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-28
Release date:2005-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conserved hypothetical protein Pfu-838710-001 from Pyrococcus furiosus
To be published
1VK1
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BU of 1vk1 by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
Descriptor: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-04-13
Release date:2004-08-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
8RZW
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BU of 8rzw by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S01
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BU of 8s01 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0P
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BU of 8s0p by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8RZY
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BU of 8rzy by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0I
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BU of 8s0i by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0Q
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BU of 8s0q by Molmil
A fragment-based inhibitor of SHP2
Descriptor: (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0J
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BU of 8s0j by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0H
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BU of 8s0h by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-14
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024

 

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