3KDJ
 
 | | Complex structure of (+)-ABA-bound PYL1 and ABI1 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ... | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-23 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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3KDI
 | | Structure of (+)-ABA bound PYL2 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.379 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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3NEG
 | | Pyrabactin-bound PYL1 structure in the open and close forms | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION | | Authors: | Yan, N. | | Deposit date: | 2010-06-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
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3NEF
 | | High-resolution pyrabactin-bound PYL1 structure | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1 | | Authors: | Yan, N. | | Deposit date: | 2010-06-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
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3NR4
 | | Pyrabactin-bound PYL2 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | | Authors: | Yan, N. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
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4GBY
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to D-xylose | | Descriptor: | D-xylose-proton symporter, beta-D-xylopyranose, nonyl beta-D-glucopyranoside | | Authors: | Sun, L.F, Zeng, X, Yan, C.Y, Yan, N. | | Deposit date: | 2012-07-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.808 Å) | | Cite: | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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4GBZ
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to D-glucose | | Descriptor: | D-xylose-proton symporter, beta-D-glucopyranose, nonyl beta-D-glucopyranoside | | Authors: | Sun, L.F, Zeng, X, Yan, C.Y, Yan, N. | | Deposit date: | 2012-07-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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4GC0
 | | The structure of the MFS (major facilitator superfamily) proton:xylose symporter XylE bound to 6-bromo-6-deoxy-D-glucose | | Descriptor: | 6-bromo-6-deoxy-beta-D-glucopyranose, D-xylose-proton symporter, nonyl beta-D-glucopyranoside | | Authors: | Yan, N, Sun, L.F, Zeng, X, Yan, C.Y. | | Deposit date: | 2012-07-28 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a bacterial homologue of glucose transporters GLUT1-4.
Nature, 490, 2012
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4GG4
 | | Crystal structure of the TAL effector dHax3 bound to specific DNA-RNA hybrid | | Descriptor: | DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3, RNA (5'-R(*AP*GP*AP*GP*AP*GP*AP*UP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3') | | Authors: | Yin, P, Deng, D, Yan, C.Y, Pan, X.J, Yan, N, Shi, Y.G. | | Deposit date: | 2012-08-05 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Specific DNA-RNA hybrid recognition by TAL effectors
Cell Rep, 2, 2012
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7UZN
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP | | Descriptor: | 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2022-05-09 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.685 Å) | | Cite: | Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
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7E4I
 | | Cryo-EM structure of the yeast mitochondrial SAM-Tom40/Tom5/Tom6 complex at 3.0 angstrom | | Descriptor: | Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, Mitochondrial import receptor subunit TOM6, ... | | Authors: | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
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7E4H
 | | Cryo-EM structure of the yeast mitochondrial SAM-Tom40 complex at 3.0 angstrom | | Descriptor: | Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ... | | Authors: | Wang, Q, Guan, Z.Y, Qi, L.B, Yan, C.Y, Yin, P. | | Deposit date: | 2021-02-13 | | Release date: | 2021-09-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural insight into the SAM-mediated assembly of the mitochondrial TOM core complex.
Science, 373, 2021
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2RHS
 | | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Evdokimov, A.G, Mekel, M. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
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2RHQ
 | | PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies | | Descriptor: | 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ... | | Authors: | Evdokimov, A.G, Mekel, M. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
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4LGI
 | | N-terminal truncated NleC structure | | Descriptor: | Uncharacterized protein | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
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4LGJ
 | | Crystal structure and mechanism of a type III secretion protease | | Descriptor: | Uncharacterized protein, ZINC ION | | Authors: | Li, W.Q, Liu, Y.X, Sheng, X.L, Yan, C.Y, Wang, J.W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-01-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and mechanism of a type III secretion protease, NleC
Acta Crystallogr.,Sect.D, 70, 2014
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5MPS
 | | Structure of a spliceosome remodeled for exon ligation | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | | Deposit date: | 2016-12-18 | | Release date: | 2017-01-18 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
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5MQ0
 | | Structure of a spliceosome remodeled for exon ligation | | Descriptor: | 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ... | | Authors: | Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K. | | Deposit date: | 2016-12-19 | | Release date: | 2017-01-18 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
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2OW9
 | | Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE, CALCIUM ION, ... | | Authors: | Pavlovsky, A.G. | | Deposit date: | 2007-02-15 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
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5QTZ
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE | | Descriptor: | 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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5QU0
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE | | Descriptor: | 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1 | | Authors: | Sheriff, S. | | Deposit date: | 2019-11-19 | | Release date: | 2020-02-05 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
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5XLS
 | | Crystal structure of UraA in occluded conformation | | Descriptor: | 12-TUNGSTOPHOSPHATE, URACIL, Uracil permease | | Authors: | Yu, X.Z, Yang, G.H, Yan, C.Y, Yan, N. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters
Cell Res., 27, 2017
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2C00
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3EQB
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | | Deposit date: | 2008-09-30 | | Release date: | 2008-11-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
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3DY7
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | Descriptor: | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | | Deposit date: | 2008-07-25 | | Release date: | 2009-06-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
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