3F01
 
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8R8O
 | | Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Beck, J, Shanmugaratnam, S, Hocker, B. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
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3EUU
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3IP7
 | | Structure of Atu2422-GABA receptor in complex with valine | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), CALCIUM ION, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IP5
 | | Structure of Atu2422-GABA receptor in complex with alanine | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), ALANINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IP6
 | | Structure of Atu2422-GABA receptor in complex with proline | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), PROLINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IPC
 | | Structure of ATU2422-GABA F77A mutant receptor in complex with leucine | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), LEUCINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IPA
 | | Structure of ATU2422-GABA receptor in complex with alanine | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), ALANINE, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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3IP9
 | | Structure of Atu2422-GABA receptor in complex with GABA | | Descriptor: | ABC transporter, substrate binding protein (Amino acid), GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Morera, S, Planamente, S, Vigouroux, A. | | Deposit date: | 2009-08-17 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conserved mechanism of GABA binding and antagonism is revealed by structure-function analysis of the periplasmic binding protein Atu2422 in Agrobacterium tumefaciens.
J.Biol.Chem., 285, 2010
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6YQY
 | | Crystal structure of sTIM11noCys, a de novo designed TIM barrel | | Descriptor: | de novo designed TIM barrel sTIM11noCys | | Authors: | Romero-Romero, S, Wiese, G.J, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-04-18 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.876 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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6YQX
 | | Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | | Descriptor: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-04-18 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.638 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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6Z2I
 | | Crystal structure of DeNovoTIM6, a de novo designed TIM barrel | | Descriptor: | de novo designed TIM barrel DeNovoTIM6 | | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-05-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.901 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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3J2N
 | | The X-ray structure of the gp15 hexamer and the model of the gp18 protein fitted into the cryo-EM reconstruction of the contracted T4 tail | | Descriptor: | Tail connector protein Gp15, Tail sheath protein Gp18 | | Authors: | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G. | | Deposit date: | 2012-11-10 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (16 Å) | | Cite: | The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
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6SLD
 | | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol | | Descriptor: | (1R)-2-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CRAL-TRIO domain-containing protein YKL091C | | Authors: | Berger, J, Fitz, M, Johnen, P, Shanmugaratnam, S, Hocker, B, Stiel, A.C, Schaaf, G. | | Deposit date: | 2019-08-19 | | Release date: | 2020-08-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the Phosphatidylcholine Binding Mutant of Yeast Sec14 Homolog Sfh1 (S175I,T177I) in Complex with Phosphatidylinositol
To Be Published
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3J2M
 | | The X-ray structure of the gp15 hexamer and the model of the gp18 protein fitted into the cryo-EM reconstruction of the extended T4 tail | | Descriptor: | Tail connector protein Gp15, Tail sheath protein Gp18 | | Authors: | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G. | | Deposit date: | 2012-11-09 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (15 Å) | | Cite: | The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
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3J2O
 | | Model of the bacteriophage T4 fibritin based on the cryo-EM reconstruction of the contracted T4 tail containing the phage collar and whiskers | | Descriptor: | Fibritin | | Authors: | Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A.A, Arisaka, F, Rao, V.B, Rossmann, M.G. | | Deposit date: | 2012-11-12 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (25 Å) | | Cite: | The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
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6EJZ
 | | Tryptophan Repressor TrpR from E.coli variant S88Y with Indole-3-acetic acid as ligand | | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOL-3-YLACETIC ACID, SULFATE ION, ... | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-24 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
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6F9K
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5YJI
 | | Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | Descriptor: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | Deposit date: | 2017-10-10 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
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5YJF
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide | | Descriptor: | 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R. | | Deposit date: | 2017-10-10 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
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7CK5
 | | Solution structure of 28 amino acid polypeptide (354-381) in Plantago asiatica mosaic virus replicase bound to SDS micelle | | Descriptor: | PlAMV replicase peptide from RNA-dependent RNA polymerase | | Authors: | Komatsu, K, Sasaki, N, Yoshida, T, Suzuki, K, Masujima, Y, Hashimoto, M, Watanabe, S, Tochio, N, Kigawa, T, Yamaji, Y, Oshima, K, Namba, S, Nelson, R, Arie, T. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Identification of a Proline-Kinked Amphipathic alpha-Helix Downstream from the Methyltransferase Domain of a Potexvirus Replicase and Its Role in Virus Replication and Perinuclear Complex Formation.
J.Virol., 95, 2021
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3VYH
 | | Crystal structure of aW116R mutant of nitrile hydratase from Pseudonocardia thermophilla | | Descriptor: | COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta | | Authors: | Yamanaka, Y, Sato, M, Arakawa, T, Namima, S, Hori, S, Ohtaki, A, Noguchi, K, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2012-09-25 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Effects of argnine residue around the substrate pocket on the substrate specificity of thiocyanate hydrolase
To be published
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3VYG
 | | Crystal structure of Thiocyanate hydrolase mutant R136W | | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | | Authors: | Yamanaka, Y, Sato, M, Arakawa, T, Namima, S, Hori, S, Ohtaki, A, Noguchi, K, Katayama, Y, Yohda, M, Odaka, M. | | Deposit date: | 2012-09-25 | | Release date: | 2013-11-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Effects of argnine residue around the substrate pocket on the substrate specificity of thiocyanate hydrolase
To be published
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6ELF
 | | Tryptophan Repressor TrpR from E.coli variant M42F T44L T81I S88Y with Indole-3-acetic acid as ligand | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Trp operon repressor | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-28 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.832 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
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6EKP
 | | Tryptophan Repressor TrpR from E.coli variant T44L T81M S88Y with Indole-3-acetic acid as ligand | | Descriptor: | 1H-INDOL-3-YLACETIC ACID, 3,6,9,12,15-PENTAOXAHEPTADECANE, Trp operon repressor | | Authors: | Stiel, A.C, Shanmugaratnam, S, Herud-Sikimic, O, Juergens, G, Hocker, B. | | Deposit date: | 2017-09-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | A biosensor for the direct visualization of auxin
Nature, 2021
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