1NBF
 
 | | Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde | | Descriptor: | Ubiquitin aldehyde, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y. | | Deposit date: | 2002-12-02 | | Release date: | 2003-01-07 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde
Cell(Cambridge,Mass.), 111, 2002
|
|
6LQG
 | | Human gamma-secretase in complex with small molecule Avagacestat | | Descriptor: | (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | | Deposit date: | 2020-01-13 | | Release date: | 2021-01-27 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
|
|
6LR4
 | | Molecular basis for inhibition of human gamma-secretase by small molecule | | Descriptor: | (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y. | | Deposit date: | 2020-01-15 | | Release date: | 2021-01-27 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
|
|
7EXS
 | | Thermomicrobium roseum sarcosine oxidase mutant - S320R | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Xin, Y, Shen, C, Tang, M.W, Shi, Y, Guo, Z.T, Gu, Z.H, Shao, J, Zhang, L. | | Deposit date: | 2021-05-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Recreating the natural evolutionary trend in key microdomains provides an effective strategy for engineering of a thermomicrobial N-demethylase.
J.Biol.Chem., 298, 2022
|
|
5XSQ
 | | Crystal Structure of the Marburg Virus Nucleoprotein Core Domain Chaperoned by a VP35 Peptide | | Descriptor: | Nucleoprotein, Peptide from Polymerase cofactor VP35 | | Authors: | Zhu, T, Song, H, Shi, Y, Qi, J, Gao, G.F. | | Deposit date: | 2017-06-15 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Marburg Virus Nucleoprotein Core Domain Chaperoned by a VP35 Peptide Reveals a Conserved Drug Target for Filovirus
J. Virol., 91, 2017
|
|
5XXQ
 | |
7D7E
 | | Structure of PKD1L3-CTD/PKD2L1 in apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Polycystic kidney disease 2-like 1 protein, ... | | Authors: | Su, Q, Chen, M, Li, B, Wang, Y, Jing, D, Zhan, X, Yu, Y, Shi, Y. | | Deposit date: | 2020-10-03 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for Ca 2+ activation of the heteromeric PKD1L3/PKD2L1 channel.
Nat Commun, 12, 2021
|
|
1T29
 | | Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide | | Descriptor: | BACH1 phosphorylated peptide, Breast cancer type 1 susceptibility protein | | Authors: | Shiozaki, E.N, Gu, L, Yan, N, Shi, Y. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the BRCT repeats of BRCA1 bound to a BACH1 phosphopeptide: implications for signaling.
Mol.Cell, 14, 2004
|
|
7CKM
 | | Structure of Machupo virus polymerase bound to Z matrix protein (monomeric complex) | | Descriptor: | MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ... | | Authors: | Xu, X, Peng, R, Peng, Q, Shi, Y. | | Deposit date: | 2020-07-17 | | Release date: | 2021-05-05 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
|
|
7CKL
 | | Structure of Lassa virus polymerase bound to Z matrix protein | | Descriptor: | MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ... | | Authors: | Xu, X, Peng, R, Peng, Q, Shi, Y. | | Deposit date: | 2020-07-17 | | Release date: | 2021-05-05 | | Last modified: | 2021-11-17 | | Method: | ELECTRON MICROSCOPY (3.88 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
|
|
7ELC
 | | Structure of monomeric complex of MACV L bound to Z and 3'-vRNA | | Descriptor: | 3'-vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ... | | Authors: | Xu, X, Peng, R, Peng, Q, Shi, Y. | | Deposit date: | 2021-04-09 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
|
|
7ELA
 | | Structure of Lassa virus polymerase in complex with 3'-vRNA and Z mutant (F36A) | | Descriptor: | 3-'vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ... | | Authors: | Xu, X, Peng, R, Peng, Q, Shi, Y. | | Deposit date: | 2021-04-09 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
|
|
7EL9
 | | Structure of Machupo virus L polymerase in complex with Z protein and 3'-vRNA (dimeric complex) | | Descriptor: | MANGANESE (II) ION, Machupo virus 3'-vRNA promoter, RING finger protein Z, ... | | Authors: | Peng, R, Xu, X, Peng, Q, Shi, Y. | | Deposit date: | 2021-04-09 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
|
|
7ELB
 | | Structure of Machupo virus L polymerase in complex with Z protein (dimeric form) | | Descriptor: | MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ... | | Authors: | Peng, R, Xu, X, Peng, Q, Shi, Y. | | Deposit date: | 2021-04-09 | | Release date: | 2021-05-05 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
|
|
7BCS
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
1SJ6
 | | NMR Structure and Regulated Expression in APL Cell of Human SH3BGRL3 | | Descriptor: | SH3 domain-binding glutamic acid-rich-like protein 3 | | Authors: | Xu, C, Tang, Y, Xu, Y, Wu, J, Shi, Y, Zhang, Q, Zheng, P, Du, Y. | | Deposit date: | 2004-03-03 | | Release date: | 2005-03-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure and regulated expression in APL cell of human SH3BGRL3.
Febs Lett., 579, 2005
|
|
1OZJ
 | | Crystal structure of Smad3-MH1 bound to DNA at 2.4 A resolution | | Descriptor: | SMAD 3, Smad binding element, ZINC ION | | Authors: | Chai, J, Wu, J.-W, Yan, N, Massague, J, Pavletich, N.P, Shi, Y. | | Deposit date: | 2003-04-09 | | Release date: | 2004-03-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Features of a Smad3 MH1-DNA complex. Roles of water and zinc in DNA binding.
J.Biol.Chem., 278, 2003
|
|
1HW5
 | | THE CAP/CRP VARIANT T127L/S128A | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR | | Authors: | Chu, S.Y, Tordova, M, Gilliland, G.L, Gorshkova, I, Shi, Y. | | Deposit date: | 2001-01-09 | | Release date: | 2001-01-17 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The structure of the T127L/S128A mutant of cAMP receptor protein facilitates promoter site binding
J.Biol.Chem., 276, 2001
|
|
1RJI
 | | Solution Structure of BmKX, a novel potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch | | Descriptor: | potassium channel toxin KX | | Authors: | Cai, Z, Wu, J, Xu, Y, Wang, C.-G, Chi, C.-W, Shi, Y. | | Deposit date: | 2003-11-19 | | Release date: | 2003-12-09 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | A novel short-chain peptide BmKX from the Chinese scorpion Buthus martensi karsch, sequencing, gene cloning and structure determination
Toxicon, 45, 2005
|
|
7CTT
 | | Cryo-EM structure of Favipiravir bound to replicating polymerase complex of SARS-CoV-2 in the pre-catalytic state. | | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Peng, Q, Peng, R, Shi, Y. | | Deposit date: | 2020-08-20 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis of SARS-CoV-2 Polymerase Inhibition by Favipiravir.
Innovation (N Y), 2, 2021
|
|
7BW4
 | | Structure of the RNA-dependent RNA polymerase from SARS-CoV-2 | | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | | Authors: | Peng, Q, Peng, R, Shi, Y. | | Deposit date: | 2020-04-13 | | Release date: | 2020-05-27 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2.
Cell Rep, 31, 2020
|
|
1Q2K
 | | Solution structure of BmBKTx1 a new potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch | | Descriptor: | Neurotoxin BmK37 | | Authors: | Cai, Z, Xu, C, Xu, Y, Lu, W, Chi, C.W, Shi, Y, Wu, J. | | Deposit date: | 2003-07-25 | | Release date: | 2003-09-09 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of BmBKTx1, a New BK(Ca)(1) Channel Blocker from the Chinese Scorpion Buthus martensi Karsch(,).
Biochemistry, 43, 2004
|
|
3WYX
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile | | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | Deposit date: | 2014-09-09 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
|
|
3WZK
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide | | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
|
|
2OSG
 | | Solution Structure and Binding Property of the Domain-swapped Dimer of ZO2PDZ2 | | Descriptor: | Tight junction protein ZO-2 | | Authors: | Wu, J.W, Yang, Y.S, Zhang, J.H, Ji, P, Wu, J.H, Shi, Y.Y. | | Deposit date: | 2007-02-05 | | Release date: | 2007-09-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Domain-swapped Dimerization of the Second PDZ Domain of ZO2 May Provide a Structural Basis for the Polymerization of Claudins
J.Biol.Chem., 282, 2007
|
|
