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7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
Authors:Sim, J, Pons, J.
Deposit date:2020-11-11
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMT
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BU of 6nmt by Molmil
Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
Descriptor: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
Authors:Wibowo, A.S, Carter, J.J, Sim, J.
Deposit date:2019-01-11
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
Descriptor: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Murray, J.M, Johnson, M.C.
Deposit date:2022-10-17
Release date:2022-11-02
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022
4WAF
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BU of 4waf by Molmil
Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha
Descriptor: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5UL1
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BU of 5ul1 by Molmil
The co-structure of 3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: 3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A, Mamo, M.
Deposit date:2017-01-23
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
5UKJ
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BU of 5ukj by Molmil
The co-structure of N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3- b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5- a]pyrazin-3-yl]benzenesulfonamide and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Elling, R.A, Mamo, M.
Deposit date:2017-01-23
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
5UK8
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BU of 5uk8 by Molmil
The co-structure of (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine and a rationally designed PI3K-alpha mutant that mimics ATR
Descriptor: (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Knapp, M.S, Mamo, M, Elling, R.A.
Deposit date:2017-01-20
Release date:2017-06-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rationally Designed PI3K alpha Mutants to Mimic ATR and Their Use to Understand Binding Specificity of ATR Inhibitors.
J. Mol. Biol., 429, 2017
3CUP
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BU of 3cup by Molmil
Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, H-2 class II histocompatibility antigen, ...
Authors:Corper, A.L, Yoshida, K, Teyton, L, Wilson, I.A.
Deposit date:2008-04-16
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235
To be Published
6OH9
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BU of 6oh9 by Molmil
Yeast Guanine Deaminase
Descriptor: NONAETHYLENE GLYCOL, SULFATE ION, Yeast Guanine Deaminase, ...
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OHC
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BU of 6ohc by Molmil
E. coli Guanine Deaminase
Descriptor: GLYCEROL, Guanine deaminase, ZINC ION
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OHB
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BU of 6ohb by Molmil
E. coli Guanine Deaminase
Descriptor: Guanine deaminase, ZINC ION
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019
6OHA
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BU of 6oha by Molmil
Yeast Guanine Deaminase
Descriptor: PENTAETHYLENE GLYCOL, Probable guanine deaminase, SULFATE ION, ...
Authors:Shek, R.S, French, J.B.
Deposit date:2019-04-05
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Biochemistry, 58, 2019

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