8JBP
 
 | | Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.45 angstroms resolution with an arsenic atom bound at Cys57 | | Descriptor: | ARSENIC, Triosephosphate isomerase | | Authors: | Kuaprasert, B, Leartsakulpanich, U, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Robinson, R.C, Zhou, Y, Mungthin, M, Leelayoova, S, Saehlee, S, Choowongkomon, K. | | Deposit date: | 2023-05-09 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors
To be published
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6LFA
 | | Structure of the N-terminal domain of Wag31 | | Descriptor: | Cell wall synthesis protein Wag31, TRIETHYLENE GLYCOL | | Authors: | Chaudhuri, B.N, Choukate, K. | | Deposit date: | 2019-11-30 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of self-assembly in the lipid-binding domain of mycobacterial polar growth factor Wag31
Iucrj, 7, 2020
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6Y8K
 | | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | | Deposit date: | 2020-03-05 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist.
J Immunother Cancer, 9, 2021
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5LVN
 | | Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.379 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVM
 | | Human PDK1 Kinase Domain in Complex with Adenine Bound to the ATP-Binding Site | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENINE, DITHIANE DIOL | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVO
 | | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVP
 | | Human PDK1 Kinase Domain in Complex with an HM-Peptide Bound to the PIF-Pocket | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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5LVL
 | | Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
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7SX3
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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7SX4
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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2O23
 | | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A | | Descriptor: | GLYCEROL, HADH2 protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kavanagh, K.L, Shafqat, N, Scholer, K, Debreczeni, J, Zschocke, J, von Delft, F, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-11-29 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The structure of wild-type human HADH2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 A
To be Published
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1NP7
 | | Crystal Structure Analysis of Synechocystis sp. PCC6803 cryptochrome | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Brudler, R, Hitomi, K, Daiyasu, H, Toh, H, Kucho, K, Ishiura, M, Kanehisa, M, Roberts, V.A, Todo, T, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2003-01-17 | | Release date: | 2003-01-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a new cryptochrome class: structure, function, and evolution
Mol.Cell, 11, 2003
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3L1N
 | | Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid | | Descriptor: | Cell wall antigen, PALMITIC ACID | | Authors: | Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y. | | Deposit date: | 2009-12-14 | | Release date: | 2010-01-05 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
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1OWC
 | | Three Dimensional Structure Analysis Of The R109L Variant of the Type II Citrate Synthase From E. Coli | | Descriptor: | Citrate synthase, SULFATE ION | | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | | Deposit date: | 2003-03-28 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli.
J.Biol.Chem., 278, 2003
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1OWB
 | | Three Dimensional Structure Analysis Of The Variant R109L NADH Complex of Type II Citrate Synthase From E. Coli | | Descriptor: | Citrate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | | Deposit date: | 2003-03-28 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli.
J.Biol.Chem., 278, 2003
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2JS2
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2JS0
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1DZ3
 | | DOMAIN-SWAPPING IN THE SPORULATION RESPONSE REGULATOR SPO0A | | Descriptor: | SULFATE ION, Stage 0 sporulation protein A | | Authors: | Lewis, R.J, Brannigan, J.A, Muchova, K, Leonard, G, Barak, I, Wilkinson, A.J. | | Deposit date: | 2000-02-15 | | Release date: | 2000-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Domain swapping in the sporulation response regulator Spo0A.
J. Mol. Biol., 297, 2000
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2OS1
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, NICKEL (II) ION, Peptide deformylase, ... | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2OS3
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | ACTINONIN, COBALT (II) ION, Peptide deformylase | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Parh, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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2OS0
 | | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | | Descriptor: | NICKEL (II) ION, Peptide deformylase, SULFATE ION | | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | | Deposit date: | 2007-02-05 | | Release date: | 2008-03-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes
To be Published
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3CS6
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, P, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
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3CS4
 | | Structure-based design of a superagonist ligand for the vitamin D nuclear receptor | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol, Vitamin D3 receptor | | Authors: | Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, F, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D. | | Deposit date: | 2008-04-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
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2V5Y
 | | Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION | | Authors: | Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y. | | Deposit date: | 2007-07-11 | | Release date: | 2007-09-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism.
Science, 317, 2007
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5OWL
 | | Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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