6TB7
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4H45
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6WLJ
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![BU of 6wlj by Molmil](/molmil-images/mine/6wlj) | ATP-TTR-3 with AMP models, 9.6 Angstrom resolution | Descriptor: | RNA (130-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (9.6 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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4GWU
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![BU of 4gwu by Molmil](/molmil-images/mine/4gwu) | Crystal Structure of Fru 2,6-bisphosphate complexes of Porcine Liver Fructose-1,6-bisphosphatase with Filled Central Cavity | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | Authors: | Gao, Y, Honzatko, R.B. | Deposit date: | 2012-09-03 | Release date: | 2013-09-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Hydrophobic Central Cavity in Fructose-1,6-bisphosphatase is Essential for the Synergism in AMP/Fru 2,6-bisphosphate Inhibition To be Published
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4H2W
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![BU of 4h2w by Molmil](/molmil-images/mine/4h2w) | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and AMP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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6KDU
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![BU of 6kdu by Molmil](/molmil-images/mine/6kdu) | Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase A, ... | Authors: | Ramachandran, R, Shukla, A, Afsar, M. | Deposit date: | 2019-07-02 | Release date: | 2020-07-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol, 77, 2021
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1UXP
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![BU of 1uxp by Molmil](/molmil-images/mine/1uxp) | Structural basis for allosteric regulation and substrate specificity of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase (GAPN) from Thermoproteus tenax | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE (NADP+), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Lorentzen, E, Hensel, R, Pohl, E. | Deposit date: | 2004-02-27 | Release date: | 2004-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Allosteric Regulation and Substrate Specificity of the Non-Phosphorylating Glyceraldehyde 3-Phosphate Dehydrogenase from Thermoproteus Tenax J.Mol.Biol., 341, 2004
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6YC7
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![BU of 6yc7 by Molmil](/molmil-images/mine/6yc7) | Structure of adenylylated C. glutamicum GlnK | Descriptor: | ADENINE ARABINOSE-5'-PHOSPHATE, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Grau, F.C, Muller, Y.A. | Deposit date: | 2020-03-18 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum. Acta Crystallogr D Struct Biol, 77, 2021
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6ITO
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![BU of 6ito by Molmil](/molmil-images/mine/6ito) | Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C. | Deposit date: | 2018-11-24 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis. J.Mol.Biol., 431, 2019
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8T4M
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![BU of 8t4m by Molmil](/molmil-images/mine/8t4m) | Closed human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | Deposit date: | 2023-06-09 | Release date: | 2024-06-12 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel. Nat Commun, 15, 2024
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6Y2O
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![BU of 6y2o by Molmil](/molmil-images/mine/6y2o) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1,7-Naphthyridin-8-amine and PKI (5-24) | Descriptor: | 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-02-17 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6YNT
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![BU of 6ynt by Molmil](/molmil-images/mine/6ynt) | Crystal structure of the cAMP-dependent protein kinase A in complex with aminofasudil and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, ... | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-04-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YNA
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![BU of 6yna by Molmil](/molmil-images/mine/6yna) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77, soaked) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-13 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YQK
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![BU of 6yqk by Molmil](/molmil-images/mine/6yqk) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative (soaked) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-17 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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8T4Y
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![BU of 8t4y by Molmil](/molmil-images/mine/8t4y) | Human HCN1 F186C S264C C309A bound to cAMP, reconstituted in LMNG + SPL | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | Deposit date: | 2023-06-12 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel. Nat Commun, 15, 2024
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8T50
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![BU of 8t50 by Molmil](/molmil-images/mine/8t50) | Open human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | Deposit date: | 2023-06-12 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel. Nat Commun, 15, 2024
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6YNB
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![BU of 6ynb by Molmil](/molmil-images/mine/6ynb) | Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked) | Descriptor: | DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-04-13 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6YNR
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![BU of 6ynr by Molmil](/molmil-images/mine/6ynr) | Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-04-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. Chemmedchem, 16, 2021
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6Y0B
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![BU of 6y0b by Molmil](/molmil-images/mine/6y0b) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with quinazolin-4-amine and PKI (5-24) | Descriptor: | DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-02-07 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y05
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![BU of 6y05 by Molmil](/molmil-images/mine/6y05) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENINE, ... | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | Deposit date: | 2020-02-06 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y2U
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![BU of 6y2u by Molmil](/molmil-images/mine/6y2u) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-02-17 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6Y89
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![BU of 6y89 by Molmil](/molmil-images/mine/6y89) | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, ... | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-03-04 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6YPP
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6WB5
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![BU of 6wb5 by Molmil](/molmil-images/mine/6wb5) | Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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6WB7
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![BU of 6wb7 by Molmil](/molmil-images/mine/6wb7) | Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
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