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6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
3GRW
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BU of 3grw by Molmil
FGFR3 in complex with a Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Wiesmann, C.
Deposit date:2009-03-26
Release date:2009-05-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibody-based targeting of FGFR3 in bladder carcinoma and t(4;14)-positive multiple myeloma in mice.
J.Clin.Invest., 119, 2009
6O3R
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BU of 6o3r by Molmil
Crystal Structure of NDM-1 D199N with Compound 7
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-27
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6NY7
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BU of 6ny7 by Molmil
Crystal Structure of NDM-1 D199N with Compound 16
Descriptor: Carbapenem Hydrolyzing Class B Metallo beta lactamase NDM-1, ZINC ION, [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-02-11
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
Descriptor: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
Deposit date:2018-06-15
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
7JTM
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BU of 7jtm by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST
Descriptor: Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.S.
Deposit date:2020-08-18
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
6N9A
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BU of 6n9a by Molmil
Crystal Structure of Thermotoga maritima threonylcarbamoyladenosine biosynthesis complex TsaB2D2E2 bound to ATP and carboxy-AMP
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 5'-O-[(R)-(carboxyoxy)(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Swairjo, M.A, Stec, B.
Deposit date:2018-12-01
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational communication mediates the reset step in t6A biosynthesis.
Nucleic Acids Res., 47, 2019
6GKU
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BU of 6gku by Molmil
Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 6F5
Descriptor: CALCIUM ION, Fab 6F5 - Heavy Chain, Fab 6F5 - Light chain, ...
Authors:Verstraete, K, Verschueren, K, Savvides, S.N.
Deposit date:2018-05-21
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
6DBU
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BU of 6dbu by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Forward strand RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
8GCA
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BU of 8gca by Molmil
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acidic mammalian chitinase, ...
Authors:Diaz, R.E, Fraser, J.S.
Deposit date:2023-03-01
Release date:2023-03-15
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
6DBI
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BU of 6dbi by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
Descriptor: CALCIUM ION, Forward strand of 12-RSS signal end, Forward strand of 23-RSS signal end, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
7REW
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BU of 7rew by Molmil
Crystal Structure of IL-13 in complex with MMAb3 Fab
Descriptor: IL13, anti-cyno interleukin 13 Fab heavy chain, anti-cyno interleukin 13 Fab light chain
Authors:Sudom, A, Min, X.
Deposit date:2021-07-13
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Development of a potent high-affinity human therapeutic antibody via novel application of recombination signal sequence-based affinity maturation.
J.Biol.Chem., 298, 2022
1I1W
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BU of 1i1w by Molmil
0.89A Ultra high resolution structure of a Thermostable Xylanase from Thermoascus Aurantiacus
Descriptor: ACETONE, ENDO-1,4-BETA-XYLANASE, ETHANOL, ...
Authors:Natesh, R, Ramakumar, S, Viswamitra, M.A.
Deposit date:2001-02-04
Release date:2003-01-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy.
Acta Crystallogr.,Sect.D, 59, 2003
6DBX
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BU of 6dbx by Molmil
Cryo-EM structure of RAG in complex with 12-RSS substrate DNA
Descriptor: CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6DBV
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BU of 6dbv by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS substrate DNAs
Descriptor: CALCIUM ION, Forward strand of 12-RSS substrate DNA, Forward strand of 23-RSS substrate DNA, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.291 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
1I1X
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BU of 1i1x by Molmil
1.11 A ATOMIC RESOLUTION STRUCTURE OF A THERMOSTABLE XYLANASE FROM THERMOASCUS AURANTIACUS
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Natesh, R, Ramakumar, S, Viswamitra, M.A.
Deposit date:2001-02-04
Release date:2003-01-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Thermostable xylanase from Thermoascus aurantiacus at ultrahigh resolution (0.89 A) at 100 K and atomic resolution (1.11 A) at 293 K refined anisotropically to small-molecule accuracy.
Acta Crystallogr.,Sect.D, 59, 2003
6GLW
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BU of 6glw by Molmil
Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 1D11
Descriptor: ACETATE ION, Fab 1D11 - Heavy chain, Fab 1D11 - Light chain, ...
Authors:Verstraete, K, Verschueren, K, Savvides, S.N.
Deposit date:2018-05-23
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
6GKT
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BU of 6gkt by Molmil
X-ray structure of a non-autocrystallizing galectin-10 variant, Gal10-Tyr69Glu
Descriptor: Galectin-10, HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, ...
Authors:Verstraete, K, Verschueren, K, Savvides, S.N.
Deposit date:2018-05-21
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
8HGX
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BU of 8hgx by Molmil
NMR solution structure of subunit epsilon of the Acinetobacter baumannii F-ATP synthase
Descriptor: ATP synthase epsilon chain
Authors:Shin, J, Grueber, G.
Deposit date:2022-11-15
Release date:2023-11-22
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
6DBJ
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BU of 6dbj by Molmil
Cryo-EM structure of RAG in complex with 12-RSS and 23-RSS nicked DNA intermediates
Descriptor: CALCIUM ION, Forward stand of RSS signal end, Forward strand of coding flank, ...
Authors:Wu, H, Liao, M, Ru, H, Mi, W.
Deposit date:2018-05-03
Release date:2018-08-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:DNA melting initiates the RAG catalytic pathway.
Nat. Struct. Mol. Biol., 25, 2018
6GKS
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BU of 6gks by Molmil
X-ray structure determined from recombinant Charcot-Leyden crystal
Descriptor: GLYCEROL, Galectin-10
Authors:Verstraete, K, Verschueren, K, Savvides, S.N.
Deposit date:2018-05-21
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
6GKQ
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BU of 6gkq by Molmil
X-ray structure determined from ex vivo Charcot-Leyden crystal
Descriptor: GLYCEROL, Galectin-10
Authors:Verstraete, K, Verschueren, K, Savvides, S.N.
Deposit date:2018-05-21
Release date:2019-06-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein crystallization promotes type 2 immunity and is reversible by antibody treatment.
Science, 364, 2019
6O5T
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BU of 6o5t by Molmil
Crystal Structure of VIM-2 with Compound 16
Descriptor: ACETATE ION, Beta-lactamase class B VIM-2, ZINC ION, ...
Authors:Akhtar, A, Chen, Y.
Deposit date:2019-03-04
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
6O5C
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BU of 6o5c by Molmil
X-ray crystal structure of metal-dependent transcriptional regulator MtsR
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Putative metal-dependent transcriptional regulator
Authors:Do, H, Kumaraswami, M.
Deposit date:2019-03-01
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Metal sensing and regulation of adaptive responses to manganese limitation by MtsR is critical for group A streptococcus virulence.
Nucleic Acids Res., 47, 2019
6H3N
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BU of 6h3n by Molmil
Structure of VgrG1 in the Type VI secretion VgrG1-Tse6-EF-Tu complex embedded in lipid nanodiscs
Descriptor: VgrG1
Authors:Quentin, D, Raunser, S.
Deposit date:2018-07-19
Release date:2018-09-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018

224201

数据于2024-08-28公开中

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