2K2J
 
 | | NMR solution structure of the split PH domain from Phospholipase C gamma 2 | | Descriptor: | 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-2 | | Authors: | Harris, R, Bunney, T.D, Katan, M, Driscoll, P.C. | | Deposit date: | 2008-04-02 | | Release date: | 2008-09-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Rac Regulates Its Effector Phospholipase C{gamma}2 through Interaction with a Split Pleckstrin Homology Domain.
J.Biol.Chem., 283, 2008
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7D5F
 | | Left-handed G-quadruplex containing 3 bulges | | Descriptor: | 3xBulge-LHG4motif | | Authors: | Winnerdy, F.R, Das, P, Ngo, K.H, Maity, A, Bakalar, B, Mechulam, Y, Schmitt, E, Phan, A.T. | | Deposit date: | 2020-09-25 | | Release date: | 2021-02-10 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Bulges in left-handed G-quadruplexes.
Nucleic Acids Res., 49, 2021
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3UOX
 | | Crystal Structure of OTEMO (FAD bound form 2) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, OTEMO | | Authors: | Shi, R, Matte, A, Cygler, M, Lau, P. | | Deposit date: | 2011-11-17 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
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1YWR
 | | Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor | | Descriptor: | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14 | | Authors: | Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J. | | Deposit date: | 2005-02-18 | | Release date: | 2005-05-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
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1U5J
 | | Propionibacterium shermanii transcarboxylase 5S subunit, Met186Ile | | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2004-07-27 | | Release date: | 2004-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit.
Embo J., 23, 2004
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8JOO
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin | | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ... | | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | Deposit date: | 2023-06-08 | | Release date: | 2023-11-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5CPB
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | Deposit date: | 2015-07-21 | | Release date: | 2015-08-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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3NFT
 | | Near-atomic resolution analysis of BipD- A component of the type-III secretion system of Burkholderia pseudomallei | | Descriptor: | Translocator protein bipD | | Authors: | Pal, M, Erskine, P.T, Gill, R.S, Wood, S.P, Cooper, J.B. | | Deposit date: | 2010-06-10 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Near-atomic resolution analysis of BipD, a component of the type III secretion system of Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 66, 2010
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3D85
 | | Crystal structure of IL-23 in complex with neutralizing FAB | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ... | | Authors: | Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V. | | Deposit date: | 2008-05-22 | | Release date: | 2008-09-02 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
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1CFP
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8JNO
 | | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF | | Descriptor: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | | Deposit date: | 2023-06-06 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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1Y7K
 | | NMR structure family of Human Agouti Signalling Protein (80-132: Q115Y, S124Y) | | Descriptor: | Agouti Signaling Protein | | Authors: | McNulty, J.C, Jackson, P.J, Thompson, D.A, Chai, B, Gantz, I, Barsh, G.S, Dawson, P.E, Millhauser, G.L. | | Deposit date: | 2004-12-08 | | Release date: | 2005-02-15 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Structures of the agouti signaling protein.
J.Mol.Biol., 346, 2005
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1Y81
 | | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus | | Descriptor: | COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
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3DEZ
 | | Crystal structure of Orotate phosphoribosyltransferase from Streptococcus mutans | | Descriptor: | Orotate phosphoribosyltransferase, SULFATE ION | | Authors: | Liu, C.P, Gao, Z.Q, Hou, H.F, Li, L.F, Su, X.D, Dong, Y.H. | | Deposit date: | 2008-06-11 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of orotate phosphoribosyltransferase from the caries pathogen Streptococcus mutans
Acta Crystallogr.,Sect.F, 66, 2010
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5CUX
 | | Crystal structure of N-terminal domain truncated Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with PPi | | Descriptor: | Acidocalcisomal pyrophosphatase, PHOSPHATE ION, PYROPHOSPHATE 2- | | Authors: | Liu, W.D, Yang, Y.Y, Ko, T.P, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2015-07-25 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of Trypanosoma cruzi protein in complex with ligand
Acs Chem.Biol., 2016
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1Q1G
 | | Crystal structure of Plasmodium falciparum PNP with 5'-methylthio-immucillin-H | | Descriptor: | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Shi, W, Ting, L.M, Kicska, G.A, Lewandowicz, A, Tyler, P.C, Evans, G.B, Furneaux, R.H, Kim, K, Almo, S.C, Schramm, V.L. | | Deposit date: | 2003-07-19 | | Release date: | 2004-03-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Plasmodium falciparum Purine Nucleoside Phosphorylase: CRYSTAL STRUCTURES, IMMUCILLIN INHIBITORS, AND DUAL CATALYTIC FUNCTION.
J.Biol.Chem., 279, 2004
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2YGH
 | | SAM-I riboswitch with a G2nA mutation in the Kink turn in complex with S-adenosylmethionine | | Descriptor: | POTASSIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ... | | Authors: | Schroeder, K, Daldrop, P, Lilley, D. | | Deposit date: | 2011-04-17 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn.
Structure, 19, 2011
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2WSQ
 | | MonoTIM mutant RMM0-1, dimeric form. | | Descriptor: | SULFATE ION, TRIOSE PHOSPHATE ISOMERASE, GLYCOSOMAL | | Authors: | Rudino-Pinera, E, Rojas-Trejo, S.P, Arreola, R, Saab-Rincon, G, Soberon, X, Horjales, E. | | Deposit date: | 2009-09-08 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Space Group Transition Driven by Temperature and Related to Monomer-Dimer Transition in Solution: The Case of Monomeric Tim of Trypanosoma Brucei Brucei
To be Published
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7E6Q
 | | Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
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5MVG
 | | Crystal structure of non-amyloidogenic light chain dimer M7 | | Descriptor: | GLYCEROL, light chain dimer | | Authors: | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | | Deposit date: | 2017-01-16 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity.
Sci Rep, 7, 2017
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5S8Q
 | | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with FMO3D000185a (space group P212121) | | Descriptor: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | | Deposit date: | 2020-12-17 | | Release date: | 2021-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | XChem group deposition
To Be Published
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3NI3
 | | 54-Membered ring macrocyclic beta-sheet peptide | | Descriptor: | 54-membered ring macrocyclic beta-sheet peptide, ISOPROPYL ALCOHOL | | Authors: | Sawaya, M.R, Eisenberg, D, Nowick, J.S, Korman, T.P, Khakshoor, O. | | Deposit date: | 2010-06-15 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | X-ray crystallographic structure of an artificial beta-sheet dimer.
J.Am.Chem.Soc., 132, 2010
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4CVI
 | | Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2014-03-27 | | Release date: | 2014-07-16 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
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8K4X
 | | Structure of a triple-helix region of human Collagen type XVII from Trautec | | Descriptor: | triple-helix region of human Collagen type XVII | | Authors: | Chu, Y, Zhai, Y, Fan, X, Li, J, Wang, L, Fu, S, Feng, P, Qian, S. | | Deposit date: | 2023-07-20 | | Release date: | 2023-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a triple-helix region of human Collagen type XVII from Trautec.
To Be Published
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5MX9
 | | High resolution crystal structure of the MCR-2 catalytic domain | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION | | Authors: | Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J. | | Deposit date: | 2017-01-22 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | 1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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