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8HW1
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BU of 8hw1 by Molmil
Far-red light-harvesting complex of Antarctic alga Prasiola crispa
Descriptor: (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, CHLOROPHYLL A, ...
Authors:Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T.
Deposit date:2022-12-28
Release date:2023-01-18
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Uphill energy transfer mechanism for photosynthesis in an Antarctic alga.
Nat Commun, 14, 2023
4GRV
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BU of 4grv by Molmil
The crystal structure of the neurotensin receptor NTS1 in complex with neurotensin (8-13)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Neurotensin 8-13, Neurotensin receptor type 1, ...
Authors:Noinaj, N, White, J.F, Shibata, Y, Love, J, Kloss, B, Xu, F, Gvozdenovic-Jeremic, J, Shah, P, Shiloach, J, Tate, C.G, Grisshammer, R.
Deposit date:2012-08-27
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of the agonist-bound neurotensin receptor.
Nature, 490, 2012
6XA9
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BU of 6xa9 by Molmil
SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide
Descriptor: GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ...
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
6XAA
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BU of 6xaa by Molmil
SARS CoV-2 PLpro in complex with ubiquitin propargylamide
Descriptor: Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION
Authors:Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D.
Deposit date:2020-06-04
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2.
Embo J., 39, 2020
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
8S04
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BU of 8s04 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: N-(1H-indol-7-yl)methanesulfonamide, 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 (1.89 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0S
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BU of 8s0s by Molmil
A fragment-based inhibitor of SHP2
Descriptor: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-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 (1.94 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S06
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BU of 8s06 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 1H-pyrrolo[3,2-b]pyridin-7-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 (2.19 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S07
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BU of 8s07 by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Cleasby, A, Price, A.
Deposit date:2024-02-13
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0K
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BU of 8s0k by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-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 (1.84 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
8S0O
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BU of 8s0o by Molmil
A fragment-based inhibitor of SHP2
Descriptor: 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, 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 (1.834 Å)
Cite:Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 2024
6JMF
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BU of 6jmf by Molmil
Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide, SULFATE ION, Tyrosine-protein kinase Fes/Fps
Authors:Baba, D, Hanzawa, H.
Deposit date:2019-03-08
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
6SS4
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BU of 6ss4 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021181
Descriptor: Arginase-2, mitochondrial, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SS2
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BU of 6ss2 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021158
Descriptor: Arginase-2, mitochondrial, Fab C0021158 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SS5
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BU of 6ss5 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SS0
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BU of 6ss0 by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021181
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab C0021181 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
6SS6
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BU of 6ss6 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0020187
Descriptor: Arginase-2, mitochondrial, Fab C0020187 heavy chain (IgG1), ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
6SRV
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BU of 6srv by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
Deposit date:2019-09-06
Release date:2020-06-10
Last modified:2020-09-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12

 

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