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5OX5
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BU of 5ox5 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound
Descriptor: (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ...
Authors:Chowdhury, R, Thinnes, C.C, Schofield, C.J.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
Authors:Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2014-03-18
Release date:2014-11-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4PZ5
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BU of 4pz5 by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of BBK32 from Borrelia burgdorferi
Descriptor: Fibronectin, Fibronectin-binding protein BBK32
Authors:Harris, G, Potts, J.R.
Deposit date:2014-03-28
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Borrelia burgdorferi Protein BBK32 Binds to Soluble Fibronectin via the N-terminal 70-kDa Region, Causing Fibronectin to Undergo Conformational Extension.
J.Biol.Chem., 289, 2014
5OQS
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BU of 5oqs by Molmil
Solution structure of antifungal protein NFAP
Descriptor: NFAP
Authors:Hajdu, D, Czajlik, A, Marx, F, Galgoczy, L, Batta, G.
Deposit date:2017-08-14
Release date:2018-07-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure and novel insights into phylogeny and mode of action of the Neosartorya (Aspergillus) fischeri antifungal protein (NFAP).
Int.J.Biol.Macromol., 129, 2019
4QCJ
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BU of 4qcj by Molmil
Crystal Structure of OdhI from Corynebacterium glutamicum
Descriptor: Oxoglutarate dehydrogenase inhibitor
Authors:Labahn, J, Raasch, K, Eggeling, L, Bocola, M, Leitner, A, Bott, M.
Deposit date:2014-05-12
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interaction of 2-oxoglutarate dehydrogenase OdhA with its inhibitor OdhI in Corynebacterium glutamicum: Mutants and a model.
J.Biotechnol., 191, 2014
4QI2
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BU of 4qi2 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1 in complex with a 23-mer Tnf-CDE RNA
Descriptor: RNA (5'-R(*AP*CP*AP*UP*GP*UP*UP*UP*UP*CP*UP*GP*UP*GP*AP*AP*AP*AP*CP*GP*GP*AP*G)-3'), Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
4PVV
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BU of 4pvv by Molmil
Micobacterial Adenosine Kinase in complex with inhibitor
Descriptor: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase
Authors:Pichova, I, Hocek, M, Dostal, J, Rezacova, P.
Deposit date:2014-03-18
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4Q2S
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BU of 4q2s by Molmil
Crystal Structure of S. pombe Pdc1 Ge1 Domain
Descriptor: PDC1 GE1 DOMAIN
Authors:Noeldeke, E.R, Neu, A, Zocher, G, Sprangers, R.
Deposit date:2014-04-09
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:In vitro reconstitution of a cellular phase-transition process that involves the mRNA decapping machinery.
Angew.Chem.Int.Ed.Engl., 53, 2014
4Q6X
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BU of 4q6x by Molmil
Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution
Descriptor: MAGNESIUM ION, Phospholipase D StSicTox-betaIC1
Authors:Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H.
Deposit date:2014-04-23
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders.
J.Biol.Chem., 290, 2015
7EIF
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BU of 7eif by Molmil
Crystal structure of GAS41 YEATS domain
Descriptor: GLYCEROL, YEATS domain-containing protein 4
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:GAS41 promotes H2A.Z deposition through recognition of the N terminus of histone H3 by the YEATS domain.
Proc.Natl.Acad.Sci.USA, 120, 2023
2WHE
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BU of 2whe by Molmil
Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands.
Descriptor: BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-05-04
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Atomic Details of Near-Transition State Conformers for Enzyme Phosphoryl Transfer Revealed by Mgf-3 Rather Than by Phosphoranes.
Proc.Natl.Acad.Sci.USA, 107, 2010
4QOY
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BU of 4qoy by Molmil
Novel binding motif and new flexibility revealed by structural analysis of a pyruvate dehydrogenase-dihydrolipoyl acetyltransferase sub-complex from the escherichia coli pyruvate dehydrogenase multi-enzyme complex
Descriptor: Pyruvate dehydrogenase (Dihydrolipoyltransacetylase component), Pyruvate dehydrogenase E1 component
Authors:Furey, W, Arjunan, P.
Deposit date:2014-06-20
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel Binding Motif and New Flexibility Revealed by Structural Analyses of a Pyruvate Dehydrogenase-Dihydrolipoyl Acetyltransferase Subcomplex from the Escherichia coli Pyruvate Dehydrogenase Multienzyme Complex.
J.Biol.Chem., 289, 2014
2WAC
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BU of 2wac by Molmil
Extended Tudor domain of Drosophila Melanogaster Tudor-SN (p100)
Descriptor: CG7008-PA
Authors:Friberg, A, Corsini, L, Sattler, M.
Deposit date:2009-02-04
Release date:2009-03-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Ligand Binding of the Extended Tudor Domain of D. Melanogaster Tudor-Sn
J.Mol.Biol., 387, 2009
4QIP
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BU of 4qip by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 isoform a in complex with Sodium Dodecyl Sulfate
Descriptor: DODECYL SULFATE, Major pollen allergen Bet v 1-A, SULFATE ION
Authors:Freier, R.A, Kofler, S.G, Brandstetter, H.
Deposit date:2014-06-01
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand binding modulates the structural dynamics and compactness of the major birch pollen allergen
Biophys.J., 107, 2014
4QI0
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BU of 4qi0 by Molmil
X-ray structure of the ROQ domain from murine Roquin-1
Descriptor: 1,2-ETHANEDIOL, Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2014-05-30
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
5OPC
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BU of 5opc by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat
Descriptor: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D.
Deposit date:2017-08-09
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
4R0O
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BU of 4r0o by Molmil
Crystal structure of PEGylated plastocyanin at 4.2 A resolution
Descriptor: 1-methylpyrrolidine-2,5-dione, COPPER (II) ION, Plastocyanin
Authors:Cattani, G, Vogeley, L, Crowley, P.B.
Deposit date:2014-08-01
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structure of a PEGylated protein reveals a highly porous double-helical assembly.
NAT.CHEM., 7, 2015
7FJ0
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BU of 7fj0 by Molmil
Interaction between a fluoroquinolone derivative and RNAs with a single bulge
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA (5'-R(*GP*GP*AP*UP*GP*CP*UP*UP*AP*CP*UP*CP*AP*GP*CP*GP*AP*UP*CP*C)-3')
Authors:Nagano, K, Kamimura, T, Kawai, G.
Deposit date:2021-08-02
Release date:2021-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative and RNAs with a single bulge.
J.Biochem., 171, 2022
7FHI
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BU of 7fhi by Molmil
Interaction between a fluoroquinolone derivative and RNAs with a single bulge
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA (5'-R(*GP*GP*AP*UP*GP*CP*UP*UP*AP*CP*UP*CP*AP*GP*CP*CP*AP*UP*CP*C)-3')
Authors:Nagano, K, Kamimura, T, Kawai, G.
Deposit date:2021-07-29
Release date:2021-12-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative and RNAs with a single bulge.
J.Biochem., 171, 2022
4QVK
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BU of 4qvk by Molmil
Apo-crystal structure of Podospora anserina methyltransferase PaMTH1
Descriptor: 1,2-ETHANEDIOL, PaMTH1 Methyltransferase
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2014-07-15
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4QXT
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BU of 4qxt by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30
Descriptor: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
Authors:Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
5OQV
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BU of 5oqv by Molmil
Near-atomic resolution fibril structure of complete amyloid-beta(1-42) by cryo-EM
Descriptor: Amyloid beta A4 protein
Authors:Gremer, L, Schoelzel, D, Schenk, C, Reinartz, E, Labahn, J, Ravelli, R, Tusche, M, Lopez-Iglesias, C, Hoyer, W, Heise, H, Willbold, D, Schroeder, G.F.
Deposit date:2017-08-14
Release date:2017-09-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Fibril structure of amyloid-beta (1-42) by cryo-electron microscopy.
Science, 358, 2017
4R4L
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BU of 4r4l by Molmil
Crystal structure of wt cGMP dependent protein kinase I alpha (PKGI alpha) leucine zipper
Descriptor: HEXANE-1,6-DIOL, SULFATE ION, cGMP-dependent protein kinase 1
Authors:Reger, A.S, Guo, E, Yang, M.P, Qin, L, Kim, C.
Deposit date:2014-08-19
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Structures of cGMP-Dependent Protein Kinase (PKG) I alpha Leucine Zippers Reveal an Interchain Disulfide Bond Important for Dimer Stability.
Biochemistry, 54, 2015
4RAV
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BU of 4rav by Molmil
Crystal structure of scFvC4 in complex with the first 17 AA of huntingtin
Descriptor: Huntingtin, SULFATE ION, Single-chain Fv, ...
Authors:De Genst, E, Chirgadze, D.Y, Dobson, C.M.
Deposit date:2014-09-11
Release date:2015-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a single-chain fv bound to the 17 N-terminal residues of huntingtin provides insights into pathogenic amyloid formation and suppression.
J.Mol.Biol., 427, 2015

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数据于2024-07-17公开中

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