4XBT
 
 | | Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol | | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
4XDV
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol | | Descriptor: | (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-20 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
7O7U
 | | Crystal structure of rsEGFP2 in the non-fluorescent off-state determined by serial femtosecond crystallography at room temperature | | Descriptor: | Green fluorescent protein | | Authors: | Hadjidemetriou, K, Woodhouse, J, Coquelle, N, Barends, T.R.M, Schlichting, I, Weik, M, Colletier, J.-P. | | Deposit date: | 2021-04-13 | | Release date: | 2022-07-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Control of Off-State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement.
Chemphyschem, 23, 2022
|
|
3MGT
 | | Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201 | | Descriptor: | 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y. | | Deposit date: | 2010-04-07 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
|
|
3MGO
 | | Crystal structure of a H5-specific CTL epitope derived from H5N1 influenza virus in complex with HLA-A*0201 | | Descriptor: | 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y. | | Deposit date: | 2010-04-07 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.297 Å) | | Cite: | Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
|
|
8KIF
 | | The structure of MmaE with substrate | | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase | | Authors: | Chen, J, Zhou, J. | | Deposit date: | 2023-08-23 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024
|
|
8KHT
 | | The structure of Rv0097 with substrate | | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Oxidoreductase | | Authors: | Chen, J, Zhou, J. | | Deposit date: | 2023-08-22 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces.
Acs Catalysis, 14, 2024
|
|
6XLQ
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab | | Descriptor: | Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain | | Authors: | Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R. | | Deposit date: | 2020-06-29 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
|
|
7YSK
 | | Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum | | Descriptor: | D-Cysteine desulfhydrase | | Authors: | Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-08-12 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
|
|
7YSL
 | | Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine | | Descriptor: | 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID | | Authors: | Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-08-12 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum
Tetrahedron, 2022
|
|
8JNX
 | | alkaline amylase Amy703 with truncated of N-terminus domain | | Descriptor: | Alpha-amylase, CALCIUM ION | | Authors: | Xiang, L, Zhang, G, Zhou, J. | | Deposit date: | 2023-06-06 | | Release date: | 2023-12-13 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.20279884 Å) | | Cite: | N-terminal domain truncation yielded a unique dimer of polysaccharide hydrolase with enhanced enzymatic activity, stability and calcium ion independence.
Int.J.Biol.Macromol., 266, 2024
|
|
5HOR
 | | Crystal structure of c-Met-M1250T in complex with SAR125844. | | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Houtmann, J, Marquette, J.-P. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
|
|
5HLW
 | | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | | Descriptor: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | | Deposit date: | 2016-01-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
|
|
5HNI
 | | CRYSTAL STRUCTURE OF CMET WT with compound 3 | | Descriptor: | Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-18 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
|
|
5HO6
 | | CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. | | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | | Authors: | Vallee, F, Houtmann, J. | | Deposit date: | 2016-01-19 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
|
|
5GCN
 | | CATALYTIC DOMAIN OF TETRAHYMENA GCN5 HISTONE ACETYLTRANSFERASE IN COMPLEX WITH COENZYME A | | Descriptor: | COENZYME A, HISTONE ACETYLTRANSFERASE GCN5 | | Authors: | Lin, Y, Fletcher, C.M, Zhou, J, Allis, C.D, Wagner, G. | | Deposit date: | 1999-03-24 | | Release date: | 1999-07-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the catalytic domain of GCN5 histone acetyltransferase bound to coenzyme A
Nature, 400, 1999
|
|
5H2T
 | |
8JNY
 | |
8JNZ
 | | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor | | Descriptor: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | | Authors: | Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. | | Deposit date: | 2023-06-06 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
|
|
4QY2
 | | Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
|
|
4QY1
 | | Structure of H10 from human-infecting H10N8 in complex with avian receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
|
|
5HSI
 | | Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution | | Descriptor: | MAGNESIUM ION, Putative decarboxylase | | Authors: | Ni, Y, Zhou, J, Zhu, H, Zhang, K. | | Deposit date: | 2016-01-25 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
|
|
5H5X
 | |
4QY0
 | | Structure of H10 from human-infecting H10N8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | | Authors: | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | | Deposit date: | 2014-07-23 | | Release date: | 2015-01-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus
Nat Commun, 6, 2015
|
|
4JFG
 | | Crystal structure of sfGFP-66-HqAla | | Descriptor: | CESIUM ION, Green fluorescent protein, quinolin-8-ol | | Authors: | Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid.
Angew.Chem.Int.Ed.Engl., 52, 2013
|
|
