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5KDQ
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BU of 5kdq by Molmil
Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid
Descriptor: 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ahmed, M.H, Omar, A.M, Safo, M.K.
Deposit date:2016-06-08
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin.
Molecules, 21, 2016
5KDZ
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BU of 5kdz by Molmil
The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-06-08
Release date:2018-02-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
To Be Published
8C7M
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BU of 8c7m by Molmil
Interleukin 12 receptor subunit beta-1 Fn domains in complex with antagonistic FAb fragment.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, FAb4 Crystal Kappa Light chain, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-01-16
Release date:2024-01-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
7PVS
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BU of 7pvs by Molmil
Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
7PVV
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BU of 7pvv by Molmil
Crystal structure of the Abl SH3 domain G92N-Y93N-N94T-H95E mutant
Descriptor: Bcr-abl1 e6a2 chimeric protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
8C2Z
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BU of 8c2z by Molmil
Crystal structure of DYRK1B in complex with AZ191
Descriptor: Dual specificity tyrosine-phosphorylation-regulated kinase 1B, MANGANESE (II) ION, N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Authors:Grygier, P, Pustelny, K, Dubin, G, Czarna, A.
Deposit date:2022-12-23
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural perspective on the design of selective DYRK1B inhibitors
To Be Published
7PVT
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BU of 7pvt by Molmil
Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Tyrosine-protein kinase transforming protein Src, ...
Authors:Camara-Artigas, A, Salinas-Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the v-Src SH3 domain Q128R mutant in complex with the synthetic peptide VSL12
To be published
5KGG
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BU of 5kgg by Molmil
Crystal structure of PIM1 with inhibitor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
Descriptor: 1,2-ETHANEDIOL, 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CHLORIDE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
7PVW
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BU of 7pvw by Molmil
Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant
Descriptor: ACETATE ION, Isoform 1 of Proto-oncogene tyrosine-protein kinase Src, TETRAETHYLENE GLYCOL
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
7PW0
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BU of 7pw0 by Molmil
Crystal structure of the c-Src SH3 domain N112G-N113Y-T114N-E115H mutant
Descriptor: Isoform 1 of Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
7PVY
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BU of 7pvy by Molmil
Crystal structure of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant
Descriptor: Isoform 2 of Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Salinas Garcia, M.C.
Deposit date:2021-10-05
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The effect of the hinge loops composition in the domain swapping of the SH3 domain
To be published
8C5Q
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BU of 8c5q by Molmil
CK2 kinase bound to inhibitor AB668
Descriptor: 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate, CHLORIDE ION, Casein kinase II subunit alpha, ...
Authors:Krimm, I, Guichou, J.F.
Deposit date:2023-01-10
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:CK2 kinase bound to inhibitor AB668
To Be Published
5KAZ
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BU of 5kaz by Molmil
Human SH2D1B structure
Descriptor: SH2 domain-containing protein 1B, SULFATE ION
Authors:Taha, M, Nezerwa, E, Nam, H.-J.
Deposit date:2016-06-02
Release date:2017-04-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The X-ray Crystallographic Structure of Human EAT2 (SH2D1B).
Protein Pept. Lett., 23, 2016
8QCD
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BU of 8qcd by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE
Descriptor: 1,2-ETHANEDIOL, 4,5,6,7-TETRABROMOBENZOTRIAZOLE, Casein kinase II subunit alpha'
Authors:Werner, C, Niefind, K.
Deposit date:2023-08-25
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
5KDB
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BU of 5kdb by Molmil
The crystal structure of 4-isopropylbenzoate-bound CYP199A4
Descriptor: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-06-07
Release date:2018-02-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:The crystal structure of 4-isopropylbenzoate-bound CYP199A4
To Be Published
5G5J
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BU of 5g5j by Molmil
Crystal structure of human CYP3A4 bound to metformin
Descriptor: CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.
Deposit date:2016-05-25
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.
Cell Chem Biol, 24, 2017
8C9I
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BU of 8c9i by Molmil
Cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 141, HEME B/C
Authors:Selvam, I.R.
Deposit date:2023-01-23
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:2.05 Angstrom structure of cytochrome P450 CYP141A1 (Rv3121) from Mycobacterium tuberculosis
To Be Published
7PSX
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BU of 7psx by Molmil
Structure of HOXB13 bound to hydroxymethylated DNA
Descriptor: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ...
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2021-09-24
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
7PRJ
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BU of 7prj by Molmil
Factor XII Fibronectin type II (FXII FnII) domain
Descriptor: Coagulation factor XII, ZINC ION
Authors:Kaira, B.G, Emsley, J.
Deposit date:2021-09-21
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Factor XII Fibronectin type II (FXII FnII) domain
To Be Published
8QCG
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BU of 8qcg by Molmil
STRUCTURE OF THE CATALYTIC SUBUNIT OF PROTEIN KINASE CK2 (CK2ALPHA') IN COMPLEX WITH THE NON-HYDROLYZABLE ATP ANALOGUE AMPPNP
Descriptor: Casein kinase II subunit alpha', MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Werner, C, Lindenblatt, D, Niefind, K.
Deposit date:2023-08-25
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
5KGK
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BU of 5kgk by Molmil
Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine
Descriptor: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
8Q77
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BU of 8q77 by Molmil
STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780
Descriptor: (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Werner, C, Lindenblatt, D, Niefind, K.
Deposit date:2023-08-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.255 Å)
Cite:Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool
Kinases Phosphatases, 2023
5GIB
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BU of 5gib by Molmil
Succinic acid bound trypsin crystallized as dimer
Descriptor: CALCIUM ION, Cationic trypsin, SUCCINIC ACID
Authors:Kutumbarao, N.H.V, Manohar, R, KarthiK, L, Malathy, P, Gunasekaran, K, Velmurugan, D.
Deposit date:2016-06-22
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Trypsin bound with Succinic acid
To Be Published
5GNJ
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BU of 5gnj by Molmil
Structure of a transcription factor and DNA complex
Descriptor: DNA (5'-D(*AP*GP*GP*AP*AP*CP*AP*CP*GP*TP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*CP*AP*CP*GP*TP*GP*TP*TP*CP*C)-3'), Transcription factor MYC2
Authors:Lian, T, Xu, Y, Su, X.
Deposit date:2016-07-21
Release date:2017-05-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Tetrameric Arabidopsis MYC2 Reveals the Mechanism of Enhanced Interaction with DNA.
Cell Rep, 19, 2017
8COO
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BU of 8coo by Molmil
Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA_(5'-R(*(UP*CP*GP*GP*(6MZ)P*CP*U)-3')
Authors:Nicastro, G, Abis, G, Taylor, I.A, Ramos, A.
Deposit date:2023-02-28
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Direct m6A recognition by IMP1 underlays an alternative model of target selection for non-canonical methyl-readers.
Nucleic Acids Res., 51, 2023

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PDB entries from 2024-08-07

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