8ABX
 
 | | Crystal structure of IDO1 in complex with Apoxidole-1 | | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6N5E
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4G42
 | | Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D | | Descriptor: | 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2 | | Authors: | Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F. | | Deposit date: | 2012-07-16 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
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6YDE
 | | X-ray structure of LPMO | | Descriptor: | COPPER (II) ION, LPMO lytic polysaccharide monooxygenase, SULFATE ION, ... | | Authors: | Tandrup, T, Tryfona, T, Frandsen, K.E.H, Johansen, K.S, Dupree, P, Lo Leggio, L. | | Deposit date: | 2020-03-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oligosaccharide Binding and Thermostability of Two Related AA9 Lytic Polysaccharide Monooxygenases.
Biochemistry, 59, 2020
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9PTI
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9RUB
 | | CRYSTAL STRUCTURE OF ACTIVATED RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE COMPLEXED WITH ITS SUBSTRATE, RIBULOSE-1,5-BISPHOSPHATE | | Descriptor: | FORMIC ACID, MAGNESIUM ION, RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE, ... | | Authors: | Lundqvist, T, Schneider, G. | | Deposit date: | 1990-11-28 | | Release date: | 1993-01-15 | | Last modified: | 2021-02-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of activated ribulose-1,5-bisphosphate carboxylase complexed with its substrate, ribulose-1,5-bisphosphate.
J.Biol.Chem., 266, 1991
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3UX7
 | | Crystal structure of a dimeric myotoxic component of the Vipera ammodytes meridionalis venom reveals determinants of myotoxicity and membrane damaging activity | | Descriptor: | Ammodytin L(1) isoform, SULFATE ION | | Authors: | Georgieva, D, Coronado, M, Oberthuer, D, Buck, F, Duhalov, D, Arni, R.K, Genov, N, Betzel, C. | | Deposit date: | 2011-12-04 | | Release date: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Crystal structure of a dimeric Ser49 PLA(2)-like myotoxic component of the Vipera ammodytes meridionalis venomics reveals determinants of myotoxicity and membrane damaging activity.
Mol Biosyst, 8, 2012
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3UYU
 | | Structural basis for the antifreeze activity of an ice-binding protein (LeIBP) from Arctic yeast | | Descriptor: | Antifreeze protein, GLYCEROL | | Authors: | Lee, J.H, Park, A.K, Do, H, Park, K.S, Moh, S.H, Chi, Y.M, Kim, H.J. | | Deposit date: | 2011-12-06 | | Release date: | 2012-02-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural basis for the antifreeze activity of an ice-binding protein from an Arctic yeast.
J.Biol.Chem., 2012
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5WN5
 | | APE1 exonuclease substrate complex with a C/T mismatch and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DV3))-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Freudenthal, B.D, Whitaker, A.M. | | Deposit date: | 2017-07-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Molecular snapshots of APE1 proofreading mismatches and removing DNA damage.
Nat Commun, 9, 2018
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5WB0
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5WBZ
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | Descriptor: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | | Authors: | Pandit, J. | | Deposit date: | 2017-06-29 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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3UW5
 | | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | | Authors: | Maurer, B, Hymowitz, S.G. | | Deposit date: | 2011-11-30 | | Release date: | 2012-02-22 | | Last modified: | 2017-08-02 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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5WRS
 | | Crystal Structure of Fam20A in complex with ATP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Zhu, Q. | | Deposit date: | 2016-12-03 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of Fam20A reveals a pseudokinase featuring a unique disulfide pattern and inverted ATP-binding
Elife, 6, 2017
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5WU6
 | | Crystal structure of apo human Tut1, form IV | | Descriptor: | MAGNESIUM ION, Speckle targeted PIP5K1A-regulated poly(A) polymerase | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2016-12-16 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.209 Å) | | Cite: | Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Nat Commun, 8, 2017
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4G54
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5WDY
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4GC5
 | | Crystal structure of murine TFB1M | | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial | | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | | Deposit date: | 2012-07-29 | | Release date: | 2013-07-10 | | Last modified: | 2013-10-02 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
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5IJS
 | | Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | | Deposit date: | 2016-03-02 | | Release date: | 2016-06-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
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6N2W
 | | The structure of Stable-5-Lipoxygenase bound to NDGA | | Descriptor: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL, Arachidonate 5-lipoxygenase, FE (II) ION | | Authors: | Newcomer, M.E, Gilbert, N.C, Neau, D.B. | | Deposit date: | 2018-11-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural and mechanistic insights into 5-lipoxygenase inhibition by natural products.
Nat.Chem.Biol., 16, 2020
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3V5D
 | | HLA-A2.1 KVAELVHFL | | Descriptor: | Beta-2-microglobulin, HIV peptide KVAELVHFL, HLA class I histocompatibility antigen, ... | | Authors: | Collins, E.J, Lee, H.Y. | | Deposit date: | 2011-12-16 | | Release date: | 2012-12-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Prediction of conformation and immunogenicity of peptides bound to MHC molecules
To be Published
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3V6Y
 | | crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA | | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3') | | Authors: | Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T. | | Deposit date: | 2011-12-20 | | Release date: | 2012-01-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
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5WU5
 | | Crystal structure of apo human Tut1, form III | | Descriptor: | Speckle targeted PIP5K1A-regulated poly(A) polymerase | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2016-12-16 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.404 Å) | | Cite: | Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Nat Commun, 8, 2017
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5WIV
 | | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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4G1C
 | | Human SIRT5 bound to Succ-IDH2 and Carba-NAD | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | | Authors: | Dai, H. | | Deposit date: | 2012-07-10 | | Release date: | 2012-08-15 | | Last modified: | 2012-09-19 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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6MUE
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