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7G8Y
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BU of 7g8y by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1449748885
Descriptor: DIMETHYL SULFOXIDE, FORMIC ACID, N-(4-methoxyphenyl)glycinamide, ...
Authors:Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ARHGEF2 PanDDA analysis group deposition
To Be Published
2KQP
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BU of 2kqp by Molmil
NMR Structure of Proinsulin
Descriptor: Insulin
Authors:Yang, Y, Hua, Q.X, Mackin, R.B, Weiss, M.A.
Deposit date:2009-11-12
Release date:2010-01-26
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of proinsulin: connecting domain flexibility and prohormone processing.
J.Biol.Chem., 285, 2010
1QSX
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BU of 1qsx by Molmil
SOLUTION NMR STRUCTURE OF THE 2:1 HOECHST 33258-D(CTTTTGCAAAAG)2 COMPLEX
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(CP*TP*TP*TP*TP*GP*CP*AP*AP*AP*AP*G)-3', SODIUM ION
Authors:Gavathiotis, E, Sharman, G.J, Searle, M.S.
Deposit date:1999-06-24
Release date:2000-02-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Sequence-dependent variation in DNA minor groove width dictates orientational preference of Hoechst 33258 in A-tract recognition: solution NMR structure of the 2:1 complex with d(CTTTTGCAAAAG)(2).
Nucleic Acids Res., 28, 2000
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
1CEE
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BU of 1cee by Molmil
SOLUTION STRUCTURE OF CDC42 IN COMPLEX WITH THE GTPASE BINDING DOMAIN OF WASP
Descriptor: GTP-BINDING RHO-LIKE PROTEIN, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Abdul-Manan, N, Aghazadeh, B, Liu, G.A, Majumdar, A, Ouerfelli, O, Rosen, M.K.
Deposit date:1999-03-08
Release date:1999-06-30
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of Cdc42 in complex with the GTPase-binding domain of the 'Wiskott-Aldrich syndrome' protein.
Nature, 399, 1999
5OL3
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BU of 5ol3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-26
Release date:2018-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
5OK3
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BU of 5ok3 by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2017-07-25
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019
3ZDT
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BU of 3zdt by Molmil
Crystal structure of basic patch mutant FAK FERM domain FAK31- 405 K216A, K218A, R221A, K222A
Descriptor: FOCAL ADHESION KINASE 1
Authors:Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
Deposit date:2012-11-30
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
7QG0
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BU of 7qg0 by Molmil
Inhibitor-induced hSARM1 duplex
Descriptor: NAD(+) hydrolase SARM1
Authors:Zalk, R, Kahzma, T, Guez-Haddad, J.
Deposit date:2021-12-07
Release date:2022-12-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:A duplex structure of SARM1 octamers stabilized by a new inhibitor.
Cell.Mol.Life Sci., 80, 2022
3ZJY
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BU of 3zjy by Molmil
Crystal Structure of Importin 13 - RanGTP - eIF1A complex
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ...
Authors:Gruenwald, M, Lazzaretti, D, Bono, F.
Deposit date:2013-01-21
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis for the Nuclear Export Activity of Importin13.
Embo J., 32, 2013
3ZO3
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BU of 3zo3 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
Descriptor: 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
Authors:Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
Deposit date:2013-02-20
Release date:2013-03-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
5OYX
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BU of 5oyx by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 8
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.654 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ7
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BU of 5oz7 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 18
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZI
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BU of 5ozi by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 29
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZT
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BU of 5ozt by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 40
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P06
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BU of 5p06 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 53
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.319 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OYU
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BU of 5oyu by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 5
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ3
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BU of 5oz3 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 14
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
7QUI
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BU of 7qui by Molmil
Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue
Descriptor: (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8
Authors:Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J.
Deposit date:2022-01-18
Release date:2023-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
5OYZ
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BU of 5oyz by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 10
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZ9
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BU of 5oz9 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 20
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.609 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZL
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BU of 5ozl by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 32
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
7QU6
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BU of 7qu6 by Molmil
Crystal structure of the N-terminal domain of Siglec-8
Descriptor: Sialic acid-binding Ig-like lectin 8
Authors:Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J.
Deposit date:2022-01-17
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
5OZW
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BU of 5ozw by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 43
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P09
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BU of 5p09 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 56
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.609 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016

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