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7FUU
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BU of 7fuu by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z445977856
Descriptor: N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FV0
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BU of 7fv0 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z44602337
Descriptor: 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FV7
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BU of 7fv7 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z1929967066
Descriptor: (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FV8
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BU of 7fv8 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z964297186
Descriptor: 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FVH
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BU of 7fvh by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z5067911819
Descriptor: (2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FVD
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BU of 7fvd by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z1424453050
Descriptor: 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FVK
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BU of 7fvk by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z409964562
Descriptor: 4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:PanDDA analysis group deposition
To Be Published
7FVE
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BU of 7fve by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z488932160
Descriptor: 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
Deposit date:2023-03-09
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:PanDDA analysis group deposition
To Be Published
7K66
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BU of 7k66 by Molmil
Structure of Blood Coagulation Factor VIII in Complex with an Anti-C1 Domain Pathogenic Antibody Inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A9 heavy chain, ...
Authors:Childers, K.C, Gish, J, Jarvis, L, Peters, S, Garrels, C, Smith, I.W, Spencer, H.T, Spiegel, P.C.
Deposit date:2020-09-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:Structure of blood coagulation factor VIII in complex with an anti-C1 domain pathogenic antibody inhibitor.
Blood, 137, 2021
7KBT
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BU of 7kbt by Molmil
Factor VIII in complex with the anti-C2 domain antibody, G99
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ronayne, E.K, Gish, J, Wilson, C, Peters, S, Spencer, H.T, Spiegel, P.C, Childers, K.C.
Deposit date:2020-10-02
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor
Front Immunol, 12, 2021
7JXY
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BU of 7jxy by Molmil
Structure of TTBK1 kinase domain in complex with Compound 18
Descriptor: (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1
Authors:Chodaprambil, J.V.
Deposit date:2020-08-28
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
7JXX
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BU of 7jxx by Molmil
Structure of TTBK1 kinase domain in complex with Compound 3
Descriptor: 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1
Authors:Chodaprambil, J.V.
Deposit date:2020-08-28
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo.
J.Med.Chem., 64, 2021
7JZB
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BU of 7jzb by Molmil
Dihydrodipicolinate synthase S48W with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-01
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZC
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BU of 7jzc by Molmil
Dihydrodipicolinate synthase S48W mutant with lysine in the allosteric site, and pyruvate in the catalytic site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-02
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZD
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BU of 7jzd by Molmil
Dihydrodipicolinate synthase mutation S48W with Lysine in the allosteric site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-02
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZG
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BU of 7jzg by Molmil
Dihydrodipicolinate synthase mutant S48F with lysine in the allosteric site and pyruvate in the catalytic site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, LYSINE, ...
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-02
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZF
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BU of 7jzf by Molmil
Dihydrodipicolinate synthase mutant S48F with pyruvate in the catalytic site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-02
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZ9
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BU of 7jz9 by Molmil
Dihydrodipicolinate synthase S48F with pyruvate and succinic semi-aldehyde
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-01
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZE
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BU of 7jze by Molmil
Dihydrodipicolinate synthase mutant S48W
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-02
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZA
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BU of 7jza by Molmil
Dihydrodipicolinate synthase S48F mutant with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde in the catalytic site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, LYSINE, ...
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-01
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mapping the uncharted water channel of DHDPS
To Be Published
7JZ7
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BU of 7jz7 by Molmil
Dihydrodipicolinate synthase mutant S48F
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-01
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Mapping the unchartered waters of dihydrodipicolinate synthase: a novel mechanism of allosteric inhibition.
To Be Published
7JZ8
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BU of 7jz8 by Molmil
Dihydrodipicolinate synthase mutant S48F with lysine in the allosteric site
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, POTASSIUM ION
Authors:Board, A.J, Dobson, R.C.J.
Deposit date:2020-09-01
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mapping the unchartered waters of dihydrodipicolinate synthase: a novel mechanism of allosteric inhibition.
To Be Published
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
2K6U
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BU of 2k6u by Molmil
The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)
Descriptor: Insulin-like 3 A chain, Insulin-like 3 B chain
Authors:Bullesbach, E.E, Hass, M.A.S, Jensen, M.R, Hansen, D.F, Kristensen, S.M, Schwabe, C, Led, J.J.
Deposit date:2008-07-24
Release date:2008-12-16
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Solution structure of a conformationally restricted fully active derivative of the human relaxin-like factor
Biochemistry, 47, 2008
8H68
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BU of 8h68 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with NOG and Mg(II)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Shi, Y, Ding, J, Yang, H.
Deposit date:2022-10-16
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caenorhabditis elegans NMAD-1 functions as a demethylase for actin.
J Mol Cell Biol, 15, 2023

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PDB entries from 2024-08-07

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