8HDP
 
 | | Structure of A2BR bound to endogenous agonists adenosine | | Descriptor: | ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ... | | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | | Deposit date: | 2022-11-05 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
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8HDO
 | | Structure of A2BR bound to synthetic agonists BAY 60-6583 | | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ... | | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | | Deposit date: | 2022-11-05 | | Release date: | 2023-01-18 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
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1KDN
 | | STRUCTURE OF NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Cherfils, J, Xu, Y.W, Morera, S, Janin, J. | | Deposit date: | 1996-09-10 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | AlF3 mimics the transition state of protein phosphorylation in the crystal structure of nucleoside diphosphate kinase and MgADP.
Proc.Natl.Acad.Sci.USA, 94, 1997
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2D5L
 | | Crystal Structure of Prolyl Tripeptidyl Aminopeptidase from Porphyromonas gingivalis | | Descriptor: | SULFATE ION, dipeptidyl aminopeptidase IV, putative | | Authors: | Nakajima, Y, Ito, K, Xu, Y, Yamada, N, Onohara, Y, Yoshimoto, T. | | Deposit date: | 2005-11-02 | | Release date: | 2006-09-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Mechanism of Tripeptidyl Activity of Prolyl Tripeptidyl Aminopeptidase from Porphyromonas gingivalis
J.Mol.Biol., 362, 2006
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8IUM
 | | Cryo-EM structure of the tafluprost acid-bound human PTGFR-Gq complex | | Descriptor: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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8IUL
 | | Cryo-EM structure of the latanoprost-bound human PTGFR-Gq complex | | Descriptor: | Antibody fragment scFv16, G subunit alpha (q), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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8IUK
 | | Cryo-EM structure of the PGF2-alpha-bound human PTGFR-Gq complex | | Descriptor: | (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, G subunit alpha (q), ... | | Authors: | Wu, C, Xu, Y, Xu, H.E. | | Deposit date: | 2023-03-24 | | Release date: | 2023-07-12 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Nat Commun, 14, 2023
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5H1B
 | | Human RAD51 presynaptic complex | | Descriptor: | DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, MAGNESIUM ION, ... | | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | | Deposit date: | 2016-10-08 | | Release date: | 2016-12-21 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange
Nat. Struct. Mol. Biol., 24, 2017
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2DCM
 | | The Crystal Structure of S603A Mutated Prolyl Tripeptidyl Aminopeptidase Complexed with Substrate | | Descriptor: | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE, dipeptidyl aminopeptidase IV, putative | | Authors: | Nakajima, Y, Ito, K, Xu, Y, Yamada, N, Onohara, Y, Yoshimoto, T. | | Deposit date: | 2006-01-09 | | Release date: | 2006-09-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure and Mechanism of Tripeptidyl Activity of Prolyl Tripeptidyl Aminopeptidase from Porphyromonas gingivalis
J.Mol.Biol., 362, 2006
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5H1C
 | | Human RAD51 post-synaptic complexes | | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA repair protein RAD51 homolog 1, ... | | Authors: | Xu, J, Zhao, L, Xu, Y, Zhao, W, Sung, P, Wang, H.W. | | Deposit date: | 2016-10-08 | | Release date: | 2016-12-21 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-EM structures of human RAD51 recombinase filaments during catalysis of DNA-strand exchange
Nat. Struct. Mol. Biol., 24, 2017
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6IMB
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | | Authors: | Zhang, X, Su, H, Xu, Y. | | Deposit date: | 2018-10-22 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.549 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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3NMV
 | | Crystal structure of pyrabactin-bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase ABI2 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | Deposit date: | 2010-06-22 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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3NMN
 | | Crystal structure of pyrabactin-bound abscisic acid receptor PYL1 in complex with type 2C protein phosphatase ABI1 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, MAGNESIUM ION, ... | | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | Deposit date: | 2010-06-22 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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3NMT
 | | Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase HAB1 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | Deposit date: | 2010-06-22 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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8GXQ
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y. | | Deposit date: | 2022-09-21 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (5.04 Å) | | Cite: | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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2XI4
 | | Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | | Authors: | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | | Deposit date: | 2010-06-28 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations.
Protein Sci., 20, 2011
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8H0P
 | | Structure of the NMB30-NMBR and Gq complex | | Descriptor: | G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W. | | Deposit date: | 2022-09-30 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
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8H0Q
 | | Structure of the GRP14-27-GRPR-Gq complex | | Descriptor: | CHOLESTEROL, G-alpha q, GRP, ... | | Authors: | Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W. | | Deposit date: | 2022-09-30 | | Release date: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular recognition of itch-associated neuropeptides by bombesin receptors
Cell Res., 33, 2023
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4I11
 | | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | | Descriptor: | Beta-secretase 1, N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine, ZINC ION | | Authors: | Bowers, B, Xu, Y, Yuan, S, Probst, G.D, Hom, R.K, Chan, W, Konradi, A.W, Sham, H.L, Zhu, Y.L, Beroza, P, Pan, H, Brecht, E, Yao, N, Lougheed, J, Artis, D.R, Tam, D, Bova, M. | | Deposit date: | 2012-11-19 | | Release date: | 2013-03-06 | | Last modified: | 2013-04-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
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4DON
 | | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon | | Descriptor: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D.Y, Chen, W.Y, Chen, T.T, Xu, Y.C, Shen, J.K. | | Deposit date: | 2012-02-09 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Brd4 Bromodomain 1 complex with a fragment 3,4-Dihydro-3-methyl-2(1H)-quinazolinon
To be Published
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5YTK
 | | Crystal structure of SIRT3 bound to a leucylated AceCS2 | | Descriptor: | AceCS2-KLeu, LEUCINE, LYSINE, ... | | Authors: | Li, J, Gong, W, Xu, Y. | | Deposit date: | 2017-11-18 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Sensing and Transmitting Intracellular Amino Acid Signals through Reversible Lysine Aminoacylations
Cell Metab., 27, 2018
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5GNJ
 | | Structure of a transcription factor and DNA complex | | Descriptor: | DNA (5'-D(*AP*GP*GP*AP*AP*CP*AP*CP*GP*TP*GP*AP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*CP*AP*CP*GP*TP*GP*TP*TP*CP*C)-3'), Transcription factor MYC2 | | Authors: | Lian, T, Xu, Y, Su, X. | | Deposit date: | 2016-07-21 | | Release date: | 2017-05-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Tetrameric Arabidopsis MYC2 Reveals the Mechanism of Enhanced Interaction with DNA.
Cell Rep, 19, 2017
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8ITY
 | | human RNA polymerase III pre-initiation complex closed DNA 1 | | Descriptor: | DNA (82-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | | Authors: | Hou, H, Jin, Q, Ren, Y, Wang, Q, Xu, Y. | | Deposit date: | 2023-03-23 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the SNAPc-bound RNA polymerase III preinitiation complex.
Cell Res., 33, 2023
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5CPE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5CP5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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