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2BUF
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BU of 2buf by Molmil
Arginine Feed-Back Inhibitable Acetylglutamate Kinase
Descriptor: ACETYLGLUTAMATE KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Ramon-Maiques, S, Fernandez-Murga, M.L, Vagin, A, Fita, I, Rubio, V.
Deposit date:2005-06-12
Release date:2005-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Bases of Feed-Back Control of Arginine Biosynthesis, Revealed by the Structure of Two Hexameric N-Acetylglutamate Kinases, from Thermotoga Maritima and Pseudomonas Aeruginosa
J.Mol.Biol., 356, 2006
5N06
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BU of 5n06 by Molmil
Crystal structure of Tie1 Fibronectin-like domain 3
Descriptor: Tyrosine-protein kinase receptor Tie-1
Authors:Leppanen, V.-M, Saharinen, P, Alitalo, K.
Deposit date:2017-02-02
Release date:2017-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CYO
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BU of 6cyo by Molmil
Crystal structure of human UBE2A (RAD6A)
Descriptor: Ubiquitin-conjugating enzyme E2 A
Authors:Ranzani, A.T, de Oliveira, J.F.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanistic insights revealed by a UBE2A mutation linked to intellectual disability.
Nat. Chem. Biol., 15, 2019
5M0U
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BU of 5m0u by Molmil
Apostructure structure of cAMP-dependent Protein Kinase (PKA) from CHO cells with a peptidic inhibitor fragment
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-05
Release date:2018-06-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.667 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA)
To Be Published
7SFR
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BU of 7sfr by Molmil
Unmethylated Mtb Ribosome 50S with SEQ-9
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-10-04
Release date:2022-10-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
5LQJ
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BU of 5lqj by Molmil
Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
Descriptor: 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-09-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of COMT in complex with 3-cyclopropyl-5-methyl-4-phenyl-1,2,4-triazole
To be published
4YJE
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BU of 4yje by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A1
Descriptor: APC membrane recruitment protein 1, Adenomatous polyposis coli protein
Authors:Zhang, Z, Xiao, Y, Wu, G.
Deposit date:2015-03-03
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4YJL
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BU of 4yjl by Molmil
Crystal structure of APC-ARM in complexed with Amer1-A2
Descriptor: 1,2-ETHANEDIOL, APC membrane recruitment protein 1, Adenomatous polyposis coli protein
Authors:Zhang, Z, Xiao, Y, Wu, G.
Deposit date:2015-03-03
Release date:2016-03-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the APC-ARM domain in complexes with discrete Amer1/WTX fragments reveal that it uses a consensus mode to recognize its binding partners
Cell Discov, 1, 2015
4Y66
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BU of 4y66 by Molmil
Crystal structure of Giardia lamblia Hop2-Mnd1 complex
Descriptor: Mnd1, Putative tbpip family protein
Authors:Kang, H.A, Shin, H.C, Oh, B.H.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Hop2-Mnd1 and mechanistic insights into its role in meiotic recombination
Nucleic Acids Res., 43, 2015
5FHF
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BU of 5fhf by Molmil
Crystal structure of Bacteroides sp Pif1 in complex with ADP-AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TETRAFLUOROALUMINATE ION, Uncharacterized protein
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
2DC2
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BU of 2dc2 by Molmil
Solution Structure of PDZ Domain
Descriptor: golgi associated PDZ and coiled-coil motif containing isoform b
Authors:Li, X, Wu, J, Shi, Y.
Deposit date:2005-12-20
Release date:2006-09-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of GOPC PDZ domain and its interaction with the C-terminal motif of neuroligin
Protein Sci., 15, 2006
5FN4
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BU of 5fn4 by Molmil
Cryo-EM structure of gamma secretase in class 2 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
2DLM
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BU of 2dlm by Molmil
Solution structure of the first SH3 domain of human vinexin
Descriptor: Vinexin
Authors:Zhang, H.P, Izumi, K, Yoshida, M, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-20
Release date:2006-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first SH3 domain of human vinexin
To be published
5FUM
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BU of 5fum by Molmil
Mus musculus acetylcholinesterase in complex with AL200
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Knutsson, S, Engdahl, C, Ekstrom, F, Linusson, A.
Deposit date:2016-01-28
Release date:2016-09-21
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes.
J.Med.Chem., 17, 2016
5FHH
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BU of 5fhh by Molmil
Structure of human Pif1 helicase domain residues 200-641
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION
Authors:Zhou, X, Ren, W, Bharath, S.R, Song, H.
Deposit date:2015-12-22
Release date:2016-03-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
6CIN
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BU of 6cin by Molmil
Crystal structure of pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, PYRUVATE-FERREDOXIN OXIDOREDUCTASE, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2018-02-24
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5M6V
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BU of 5m6v by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.418 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To be Published
4YNZ
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BU of 4ynz by Molmil
Structure of the N-terminal domain of SAD
Descriptor: Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
5N39
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BU of 5n39 by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine
Descriptor: (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3K
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BU of 5n3k by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule O-guanidino-L-homoserine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, L-CANAVANINE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N1G
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BU of 5n1g by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(2-Amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3G
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BU of 5n3g by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (R)-1,4-oxazepan-6-ol
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (6~{R})-1,4-oxazepan-6-ol, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3A
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BU of 5n3a by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.404 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
5N3I
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BU of 5n3i by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule methyl (2S)-2-amino-3-phenylpropanoate
Descriptor: DIMETHYL SULFOXIDE, [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
4YOM
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BU of 4yom by Molmil
Structure of SAD kinase
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2
Authors:Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
Deposit date:2015-03-12
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015

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