1ELF
 
 | | NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | | Deposit date: | 1995-03-13 | | Release date: | 1995-07-10 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
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1ELG
 | | NATURE OF THE INACTIVATION OF ELASTASE BY N-PEPTIDYL-O-AROYL HYDROXYLAMINE AS A FUNCTION OF PH | | Descriptor: | (TERT-BUTYLOXYCARBONYL)-ALANYL-ALANYL-AMINE, CALCIUM ION, PORCINE PANCREATIC ELASTASE | | Authors: | Ding, X, Rasmussen, B, Demuth, H.-U, Ringe, D, Steinmetz, A.C.U. | | Deposit date: | 1995-03-13 | | Release date: | 1995-07-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nature of the inactivation of elastase by N-peptidyl-O-aroyl hydroxylamine as a function of pH.
Biochemistry, 34, 1995
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1ESA
 | | DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | | Descriptor: | CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION | | Authors: | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-02-04 | | Release date: | 1994-04-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
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1ESB
 | | DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE | | Descriptor: | CALCIUM ION, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, PORCINE PANCREATIC ELASTASE, ... | | Authors: | Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D. | | Deposit date: | 1994-02-04 | | Release date: | 1994-04-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
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8Y0V
 | | HIF prolyl hydroxylase 2 in complex with inhibitor | | Descriptor: | Egl nine homolog 1, MANGANESE (II) ION, ~{tert}-butyl 4-[6-[(6-cyanopyridin-3-yl)methylcarbamoyl]-5-oxidanyl-1,7-naphthyridin-2-yl]piperazine-1-carboxylate | | Authors: | Ding, X, Fan, Y. | | Deposit date: | 2024-01-23 | | Release date: | 2024-12-18 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Intestinal mucosal barrier repair and immune regulation with an AI-developed gut-restricted PHD inhibitor.
Nat.Biotechnol., 2024
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4MZH
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4MZF
 | | Crystal structure of human Spindlin1 bound to histone H3(K4me3-R8me2a) peptide | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Peptide from Histone H3.2, ... | | Authors: | Su, X, Ding, X, Li, H. | | Deposit date: | 2013-09-30 | | Release date: | 2014-03-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
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4MZG
 | | Crystal structure of human Spindlin1 bound to histone H3K4me3 peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Su, X, Ding, X, Li, H. | | Deposit date: | 2013-09-30 | | Release date: | 2014-03-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Molecular basis underlying histone H3 lysine-arginine methylation pattern readout by Spin/Ssty repeats of Spindlin1
Genes Dev., 28, 2014
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8WTS
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-10-19 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A novel, covalent broad-spectrum inhibitor targeting human coronavirus M pro.
Nat Commun, 16, 2025
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8XAM
 | | Co-crystal structure of compound 7 in complex with MAT2A | | Descriptor: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Gao, F, Ding, X. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach.
Bioorg.Med.Chem., 100, 2024
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8J1K
 | | co-crystal structure of non-carboxylic acid inhibitor with PHD2 | | Descriptor: | Egl nine homolog 1, MANGANESE (II) ION, N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide | | Authors: | Xu, J, Fu, Y, Ding, X, Meng, Q, Wang, L, Zhang, M, Ding, X, Ren, F, Zhavoronkov, A. | | Deposit date: | 2023-04-13 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.451 Å) | | Cite: | co-crystal structure of non-carboxylic acid inhibitor with PHD2
To Be Published
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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8WZ0
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide, 3C-like proteinase nsp5 | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-11-01 | | Release date: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | SARS-CoV-2 3CLpro bound to covalent inhibitor
To Be Published
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1DDN
 | | DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX | | Descriptor: | 33 BASE DNA CONTAINING TOXIN OPERATOR, DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | | Authors: | White, A, Ding, X, Vanderspek, J.C, Murphy, J.R, Ringe, D. | | Deposit date: | 1998-06-23 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
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1ELB
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-06-22 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELC
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamide, CALCIUM ION, ELASTASE | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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1ELA
 | | Analogous inhibitors of elastase do not always bind analogously | | Descriptor: | 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamide, ACETIC ACID, CALCIUM ION, ... | | Authors: | Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D. | | Deposit date: | 1993-12-07 | | Release date: | 1994-04-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
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7UD4
 | | Cryo-EM structure of AAV-PHP.eB | | Descriptor: | Capsid protein VP1 | | Authors: | Jang, S, Shen, H.K, Ding, X, Miles, T.F, Gradinaru, V. | | Deposit date: | 2022-03-18 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Structural basis of receptor usage by the engineered capsid AAV-PHP.eB.
Mol Ther Methods Clin Dev, 26, 2022
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2TDX
 | | DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL | | Descriptor: | DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION | | Authors: | White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R. | | Deposit date: | 1998-06-22 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
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4NFT
 | | Crystal structure of human lnkH2B-h2A.Z-Anp32e | | Descriptor: | Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z | | Authors: | Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z. | | Deposit date: | 2013-11-01 | | Release date: | 2014-04-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014
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5Y14
 | | Crystal structure of LP-40/N44 | | Descriptor: | LP-40, N44 | | Authors: | Zhang, X, Wang, X, He, Y. | | Deposit date: | 2017-07-19 | | Release date: | 2017-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
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8R7R
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8R7Q
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8R7P
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8QOJ
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