4MMZ
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![BU of 4mmz by Molmil](/molmil-images/mine/4mmz) | Integrin AlphaVBeta3 ectodomain bound to an antagonistic tenth domain of Fibronectin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fibronectin, ... | Authors: | van Agthoven, J, Xiong, J, Arnaout, M.A. | Deposit date: | 2013-09-09 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for pure antagonism of integrin alpha V beta 3 by a high-affinity form of fibronectin. Nat.Struct.Mol.Biol., 21, 2014
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1YG4
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![BU of 1yg4 by Molmil](/molmil-images/mine/1yg4) | |
5N3B
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5N3N
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![BU of 5n3n by Molmil](/molmil-images/mine/5n3n) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule [(2R)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARNITINE, 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 (1.224 Å) | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A To be Published
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5N1O
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5N32
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5N3J
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![BU of 5n3j by Molmil](/molmil-images/mine/5n3j) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Nitrobenzoic acid | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-NITROBENZOIC ACID, 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 (1.12 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 2020
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5N1K
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5N3O
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![BU of 5n3o by Molmil](/molmil-images/mine/5n3o) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-(1,3-oxazol-5-yl)aniline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3-oxazol-5-yl)aniline, 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 (1.32 Å) | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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2AWE
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5N1L
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![BU of 5n1l by Molmil](/molmil-images/mine/5n1l) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2,5-dimethyl-N-pyridin-4-ylfuran-3-carboxamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, ... | 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 (1.489 Å) | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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1YFH
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![BU of 1yfh by Molmil](/molmil-images/mine/1yfh) | wt Human O6-Alkylguanine-DNA Alkyltransferase Bound To DNA Containing an Alkylated Cytosine | Descriptor: | 5'-D(*CP*CP*TP*AP*CP*AP*CP*AP*CP*AP*TP*CP*CP*AP*CP*A)-3', 5'-D(*GP*TP*GP*GP*AP*TP*GP*(XCY)P*GP*TP*GP*TP*AP*GP*GP*T)-3', Methylated-DNA--protein-cysteine methyltransferase, ... | Authors: | Duguid, E.M, Rice, P.A, He, C. | Deposit date: | 2004-12-31 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The structure of the human AGT protein bound to DNA and its implications for damage detection. J.Mol.Biol., 350, 2005
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1YG3
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![BU of 1yg3 by Molmil](/molmil-images/mine/1yg3) | |
5N1N
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2AHE
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![BU of 2ahe by Molmil](/molmil-images/mine/2ahe) | Crystal structure of a soluble form of CLIC4. intercellular chloride ion channel | Descriptor: | Chloride intracellular channel protein 4 | Authors: | Littler, D.R, Assaad, N.N, Harrop, S.J, Brown, L.J, Pankhurst, G.J, Luciani, P, Aguilar, M.-I, Mazzanti, M, Berryman, M.A, Breit, S.N, Curmi, P.M.G. | Deposit date: | 2005-07-28 | Release date: | 2005-08-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the soluble form of the redox-regulated chloride ion channel protein CLIC4. FEBS J., 272, 2005
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4NE3
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![BU of 4ne3 by Molmil](/molmil-images/mine/4ne3) | Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (1.8007 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
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5N3C
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![BU of 5n3c by Molmil](/molmil-images/mine/5n3c) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl(thiophen-3-yl)methylidene]azanium, cAMP dependent protein kinase inhibitor alpha-like protein, ... | 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 (1.772 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 2020
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5N3Q
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![BU of 5n3q by Molmil](/molmil-images/mine/5n3q) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-Aminobenzamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-aminobenzamide, 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 (1.31 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 2020
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5N1E
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![BU of 5n1e by Molmil](/molmil-images/mine/5n1e) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Siefker, C, Heine, A, Klebe, G. | Deposit date: | 2017-02-06 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.529 Å) | Cite: | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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6CIQ
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5N33
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![BU of 5n33 by Molmil](/molmil-images/mine/5n33) | cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, 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 (1.434 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 2020
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5N3H
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5Y39
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![BU of 5y39 by Molmil](/molmil-images/mine/5y39) | Crystal structure of Ragulator complex (p18 76-145) | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | Authors: | Zhang, T, Ding, J. | Deposit date: | 2017-07-28 | Release date: | 2017-12-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1 Nat Commun, 8, 2017
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5ZKI
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![BU of 5zki by Molmil](/molmil-images/mine/5zki) | Human EXOG-H140A in complex with duplex DNA | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*GP*GP*AP*TP*AP*TP*CP*CP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Wu, C.C, Lin, J.L.J, Yuan, H.S. | Deposit date: | 2018-03-24 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.321 Å) | Cite: | A unique exonuclease ExoG cleaves between RNA and DNA in mitochondrial DNA replication. Nucleic Acids Res., 47, 2019
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5N1H
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