7JYO
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![BU of 7jyo by Molmil](/molmil-images/mine/7jyo) | JAK2 JH2 in complex with JAK064 | Descriptor: | 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2020-08-31 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16127229 Å) | Cite: | Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant Tetrahedron Lett., 77, 2021
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3AR7
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![BU of 3ar7 by Molmil](/molmil-images/mine/3ar7) | Calcium pump crystal structure with bound TNP-ATP and TG in the absence of Ca2+ | Descriptor: | OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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3AQ8
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![BU of 3aq8 by Molmil](/molmil-images/mine/3aq8) | Crystal structure of truncated hemoglobin from Tetrahymena pyriformis, Q46E mutant, Fe(III) form | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Igarashi, J, Kobayashi, K, Matsuoka, A. | Deposit date: | 2010-10-25 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A hydrogen-bonding network formed by the B10-E7-E11 residues of a truncated hemoglobin from Tetrahymena pyriformis is critical for stability of bound oxygen and nitric oxide detoxification. J.Biol.Inorg.Chem., 16, 2011
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5IC1
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![BU of 5ic1 by Molmil](/molmil-images/mine/5ic1) | Structural analysis of a talin triple domain module, E1794Y, E1797Y, Q1801Y mutant | Descriptor: | 1,2-ETHANEDIOL, Talin-1 | Authors: | Wu, J, Chang, Y.-C.E, Zhang, H, Huang, Q.-Q. | Deposit date: | 2016-02-22 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration. Structure, 24, 2016
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3HLB
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![BU of 3hlb by Molmil](/molmil-images/mine/3hlb) | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
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3AR5
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![BU of 3ar5 by Molmil](/molmil-images/mine/3ar5) | Calcium pump crystal structure with bound TNP-AMP and TG | Descriptor: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ... | Authors: | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | Deposit date: | 2010-11-24 | Release date: | 2011-02-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+ Proc.Natl.Acad.Sci.USA, 108, 2011
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7JYQ
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![BU of 7jyq by Molmil](/molmil-images/mine/7jyq) | JAK2 JH2 in complex with JAK020 | Descriptor: | GLYCEROL, N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine, Tyrosine-protein kinase JAK2 | Authors: | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2020-08-31 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85941613 Å) | Cite: | Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant Tetrahedron Lett., 77, 2021
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1GMI
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![BU of 1gmi by Molmil](/molmil-images/mine/1gmi) | Structure of the c2 domain from novel protein kinase C epsilon | Descriptor: | MAGNESIUM ION, PROTEIN KINASE C, EPSILON TYPE | Authors: | Ochoa, W.F, Garcia-Garcia, J, Fita, I, Corbalan-Garcia, S, Verdaguer, N, Gomez-Fernandez, J.C. | Deposit date: | 2001-09-14 | Release date: | 2001-10-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the C2 Domain from Novel Protein Kinase Cepsilon. A Membrane Binding Model for Ca(2+ )-Independent C2 Domains J.Mol.Biol., 311, 2001
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5D46
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![BU of 5d46 by Molmil](/molmil-images/mine/5d46) | Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination | Descriptor: | ACETATE ION, DNA (5'-D(*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*GP*C)-3'), ... | Authors: | Loc'h, J, Rosario, S, Delarue, M. | Deposit date: | 2015-08-07 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for a New Templated Activity by Terminal Deoxynucleotidyl Transferase: Implications for V(D)J Recombination. Structure, 24, 2016
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8AP1
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![BU of 8ap1 by Molmil](/molmil-images/mine/8ap1) | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with two GTP molecules poised for de novo initiation (IC2) | Descriptor: | DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | Deposit date: | 2022-08-09 | Release date: | 2023-08-23 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation. Nature, 622, 2023
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5D4N
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![BU of 5d4n by Molmil](/molmil-images/mine/5d4n) | Structure of CPII bound to ADP, AMP and acetate, from Thiomonas intermedia K12 | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. | Deposit date: | 2015-08-08 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein. J.Mol.Biol., 428, 2016
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3HMF
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![BU of 3hmf by Molmil](/molmil-images/mine/3hmf) | Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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8AIA
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![BU of 8aia by Molmil](/molmil-images/mine/8aia) | |
8ATV
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![BU of 8atv by Molmil](/molmil-images/mine/8atv) | Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex with 5-mer RNA, pppGpGpApApA (IC5) | Descriptor: | DNA (36-MER), DNA-directed RNA polymerase, mitochondrial, ... | Authors: | Goovaerts, Q, Shen, J, Patel, S.S, Das, K. | Deposit date: | 2022-08-24 | Release date: | 2023-08-30 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structures illustrate step-by-step mitochondrial transcription initiation. Nature, 622, 2023
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5D6O
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![BU of 5d6o by Molmil](/molmil-images/mine/5d6o) | Orthorhombic Crystal Structure of an acetylester hydrolase from Corynebacterium glutamicum | Descriptor: | CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ... | Authors: | Niefind, K, Toelzer, C, Altenbuchner, J, Watzlawick, H. | Deposit date: | 2015-08-12 | Release date: | 2015-12-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases. Febs Lett., 590, 2016
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8AHD
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8AIX
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1JZD
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![BU of 1jzd by Molmil](/molmil-images/mine/1jzd) | DsbC-DsbDalpha complex | Descriptor: | thiol:disulfide interchange protein dsbc, thiol:disulfide interchange protein dsbd | Authors: | Haebel, P.W, Goldstone, D, Katzen, F, Beckwith, J, Metcalf, P. | Deposit date: | 2001-09-15 | Release date: | 2003-03-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Disulfide Bond Isomerase DsbC is Activated by an
Immunoglobulin-fold Thiol Oxidoreductase: Crystal structure of the
DsbC-DsbDalpha complex. Embo J., 21, 2002
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3AQ6
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5DA5
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![BU of 5da5 by Molmil](/molmil-images/mine/5da5) | Crystal structure of Rhodospirillum rubrum Rru_A0973 | Descriptor: | CALCIUM ION, FE (III) ION, GLYCOLIC ACID, ... | Authors: | He, D, Vanden Hehier, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2015-08-19 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.064 Å) | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments. Elife, 5, 2016
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8AFE
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1SHR
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![BU of 1shr by Molmil](/molmil-images/mine/1shr) | Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution | Descriptor: | CYANIDE ION, FE (III) ION, Hemoglobin alpha chain, ... | Authors: | Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K. | Deposit date: | 2004-02-26 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb Biochemistry, 43, 2004
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1RB0
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4P56
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![BU of 4p56 by Molmil](/molmil-images/mine/4p56) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE | Descriptor: | (R)-MANDELIC ACID, (S)-MANDELIC ACID, Putative extracellular solute-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-14 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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5IN3
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![BU of 5in3 by Molmil](/molmil-images/mine/5in3) | Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, ... | Authors: | Kopec, J, McCorvie, T, Tallant, C, Velupillai, S, Shrestha, L, Fitzpatrick, F, Patel, D, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-03-07 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase. Hum.Mol.Genet., 25, 2016
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