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5TTV
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BU of 5ttv by Molmil
Jak3 with covalent inhibitor 6
Descriptor: N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5UDE
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BU of 5ude by Molmil
Crystal Structure of RSV F B9320 DS-Cav1
Descriptor: Fusion glycoprotein F0, SULFATE ION
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5U4L
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BU of 5u4l by Molmil
RTA-V1C7_G29R-high-salt
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2016-12-05
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Using homology modeling to interrogate binding affinity in neutralization of ricin toxin by a family of single domain antibodies.
Proteins, 85, 2017
4QQB
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BU of 4qqb by Molmil
Structural basis for the assembly of the SXL-UNR translation regulatory complex
Descriptor: Protein sex-lethal, Upstream of N-ras, isoform A, ...
Authors:Hennig, J, Popowicz, G.M, Sattler, M.
Deposit date:2014-06-27
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the assembly of the Sxl-Unr translation regulatory complex.
Nature, 515, 2014
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
Descriptor: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5TTU
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BU of 5ttu by Molmil
Jak3 with covalent inhibitor 7
Descriptor: 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
4NWI
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BU of 4nwi by Molmil
Crystal structure of cytosolic 5'-nucleotidase IIIB (cN-IIIB) bound to cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 7-methylguanosine phosphate-specific 5'-nucleotidase, CHLORIDE ION, ...
Authors:Monecke, T, Neumann, P, Ficner, R.
Deposit date:2013-12-06
Release date:2014-03-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structures of the Novel Cytosolic 5'-Nucleotidase IIIB Explain Its Preference for m7GMP
Plos One, 9, 2014
1GEQ
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BU of 1geq by Molmil
Entropic stabilization of the tryptophan synthase A-subunit from a hyperthermophile, pyrococcus furiosus: X-ray analysis and calorimetry
Descriptor: TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT
Authors:Yutani, K, Yamagata, Y.
Deposit date:2000-11-21
Release date:2000-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Entropic stabilization of the tryptophan synthase alpha-subunit from a hyperthermophile, Pyrococcus furiosus. X-ray analysis and calorimetry.
J.Biol.Chem., 276, 2001
1GH4
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BU of 1gh4 by Molmil
Structure of the triple mutant (K56M, K120M, K121M) of phospholipase A2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sekar, K, Velmurugan, D, Tsai, M.D.
Deposit date:2000-11-09
Release date:2001-05-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Observation of additional calcium ion in the crystal structure of the triple mutant K56,120,121M of bovine pancreatic phospholipase A2.
J.Mol.Biol., 324, 2002
5UIX
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BU of 5uix by Molmil
Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial
Descriptor: DH576 Fab heavy chain, DH576 Fab light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2017-01-15
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Boosting of HIV envelope CD4 binding site antibodies with long variable heavy third complementarity determining region in the randomized double blind RV305 HIV-1 vaccine trial.
PLoS Pathog., 13, 2017
8BWB
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BU of 8bwb by Molmil
Spider toxin Pha1b (PnTx3-6) from Phoneutria nigriventer targeting CaV2.x calcium channels and TRPA1 channel
Descriptor: Omega-ctenitoxin-Pn4a
Authors:Mironov, P.A, Chernaya, E.M, Paramonov, A.S, Shenkarev, Z.O.
Deposit date:2022-12-06
Release date:2023-06-21
Last modified:2023-07-05
Method:SOLUTION NMR
Cite:Recombinant Production, NMR Solution Structure, and Membrane Interaction of the Ph alpha 1 beta Toxin, a TRPA1 Modulator from the Brazilian Armed Spider Phoneutria nigriventer .
Toxins, 15, 2023
1GD6
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BU of 1gd6 by Molmil
STRUCTURE OF THE BOMBYX MORI LYSOZYME
Descriptor: LYSOZYME
Authors:Matsuura, A, Aizawa, T, Yao, M, Kawano, K, Tanaka, I, Nitta, K.
Deposit date:2000-09-19
Release date:2001-03-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of an insect lysozyme exhibiting catalytic efficiency at low temperatures.
Biochemistry, 41, 2002
4TPL
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BU of 4tpl by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2014-06-08
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
5TP1
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BU of 5tp1 by Molmil
The structure of the C-terminus of virulence protein IncE from Chlamydia trachomatis bound to Mus musculus SNX5-PX domain
Descriptor: Inclusion membrane protein E, Sorting nexin-5
Authors:Rosenberg, O, Czudnochowski, N.
Deposit date:2016-10-19
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Chlamydia interfere with an interaction between the mannose-6-phosphate receptor and sorting nexins to counteract host restriction.
Elife, 6, 2017
8BUU
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BU of 8buu by Molmil
ARE-ABCF VmlR2 bound to a 70S ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2022-11-30
Release date:2023-04-05
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Genome-encoded ABCF factors implicated in intrinsic antibiotic resistance in Gram-positive bacteria: VmlR2, Ard1 and CplR.
Nucleic Acids Res., 51, 2023
5VAD
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BU of 5vad by Molmil
Crystal structure of human Prolyl-tRNA synthetase (PRS) in complex with inhibitor
Descriptor: 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ...
Authors:Okada, K, Skene, R.J.
Deposit date:2017-03-24
Release date:2017-05-31
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Discovery of a novel prolyl-tRNA synthetase inhibitor and elucidation of its binding mode to the ATP site in complex with l-proline.
Biochem. Biophys. Res. Commun., 488, 2017
1GW6
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BU of 1gw6 by Molmil
STRUCTURE OF LEUKOTRIENE A4 HYDROLASE D375N MUTANT
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, ACETATE ION, IMIDAZOLE, ...
Authors:Rudberg, P.C, Tholander, F, Thunnissen, M.M.G.M, Samuelsson, B, Haeggstrom, J.Z.
Deposit date:2002-03-07
Release date:2003-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Leukotriene A4 Hydrolase: Selective Abrogation of Leukotriene B4 Formation by Mutation of Aspartic Acid 375
Proc.Natl.Acad.Sci.USA, 99, 2002
5VA4
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BU of 5va4 by Molmil
TRIM-Cyclophilin A B-box 2 and coiled-coil chimera
Descriptor: TRIM5/cyclophilin A V4 fusion protein, ZINC ION
Authors:Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O.W.
Deposit date:2017-03-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:General Model for Retroviral Capsid Pattern Recognition by TRIM5 Proteins.
J. Virol., 92, 2018
1HTY
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BU of 1hty by Molmil
GOLGI ALPHA-MANNOSIDASE II
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:van den Elsen, J.M.H, Kuntz, D.A, Rose, D.R.
Deposit date:2001-01-02
Release date:2002-01-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Golgi alpha-mannosidase II: a target for inhibition of growth and metastasis of cancer cells.
EMBO J., 20, 2001
1HXK
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BU of 1hxk by Molmil
GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH DEOXYMANNOJIRIMICIN
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:van den Elsen, J.M.H, Kuntz, D.A, Rose, D.R.
Deposit date:2001-01-16
Release date:2002-01-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Golgi alpha-mannosidase II: a target for inhibition of growth and metastasis of cancer cells.
EMBO J., 20, 2001
5VVL
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BU of 5vvl by Molmil
Cas1-Cas2 bound to full-site mimic with Ni
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (11-MER), ...
Authors:Wright, A.V, Knott, G.J, Doxzen, K.D, Doudna, J.A.
Deposit date:2017-05-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structures of the CRISPR genome integration complex.
Science, 357, 2017
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
Descriptor: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0F
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BU of 5w0f by Molmil
CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5W0L
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BU of 5w0l by Molmil
CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
Descriptor: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017

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