7W77
 
 | | cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D, Li, X. | | Deposit date: | 2021-12-03 | | Release date: | 2022-04-06 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
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2G5P
 | | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | | Descriptor: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4 | | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | | Deposit date: | 2006-02-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
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2G63
 | | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b | | Descriptor: | Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | | Deposit date: | 2006-02-24 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
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2G5T
 | | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | | Descriptor: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4 | | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | | Deposit date: | 2006-02-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
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2GO3
 | | Crystal structure of Aquifex aeolicus LpxC complexed with imidazole. | | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2006-04-12 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
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1ZTY
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1ZU0
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2OQV
 | | Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine | | Descriptor: | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) | | Authors: | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D. | | Deposit date: | 2007-02-01 | | Release date: | 2007-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
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1Y4E
 | | NMR structure of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger | | Descriptor: | Sodium/hydrogen exchanger 1 | | Authors: | Slepkov, E.R, Rainey, J.K, Li, X, Liu, Y, Lindhout, D.A, Sykes, B.D, Fliegel, L. | | Deposit date: | 2004-11-30 | | Release date: | 2005-02-01 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structural and functional characterization of transmembrane segment IV of the NHE1 isoform of the Na+/H+ exchanger.
J.Biol.Chem., 280, 2005
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1XXE
 | | RDC refined solution structure of the AaLpxC/TU-514 complex | | Descriptor: | 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Coggins, B.E, McClerren, A.L, Jiang, L, Li, X, Rudolph, J, Hindsgaul, O, Raetz, C.R.H, Zhou, P. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Refined Solution Structure of the LpxC-TU-514 Complex and pK(a) Analysis of an Active Site Histidine: Insights into the Mechanism and Inhibitor Design
Biochemistry, 44, 2005
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2OQI
 | | Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine | | Descriptor: | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) | | Authors: | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M. | | Deposit date: | 2007-01-31 | | Release date: | 2007-04-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
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2AFR
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7DLY
 | | Crystal structure of Arabidopsis ACS7 mutant in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7 | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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7DLW
 | | Crystal structure of Arabidopsis ACS7 in complex with PPG | | Descriptor: | (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, 1-aminocyclopropane-1-carboxylate synthase 7, SULFATE ION | | Authors: | Hao, B, Zhang, Y, Li, X, Rao, Z. | | Deposit date: | 2020-11-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Dual activities of ACC synthase: Novel clues regarding the molecular evolution of ACS genes.
Sci Adv, 7, 2021
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7ENH
 | | Crystal structure of cas and anti-cas protein complex | | Descriptor: | AcrIIA14 protein, CRISPR-associated endonuclease Cas9, NICKEL (II) ION | | Authors: | Wang, Y, Li, X. | | Deposit date: | 2021-04-17 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Crystal structure of cas and anti-cas protein complex
To Be Published
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7ENI
 | | Crystal structure of cas and anti-cas protein complex | | Descriptor: | AcrIIA13 protein, CRISPR-associated endonuclease Cas9, PHOSPHATE ION, ... | | Authors: | Wang, Y, Li, X. | | Deposit date: | 2021-04-17 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.632 Å) | | Cite: | Crystal structure of cas and anti-cas protein complex
To Be Published
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7ENR
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7ENM
 | | Selenomethionine anti-Cas protein | | Descriptor: | AcrIIA14 protein | | Authors: | Wang, Y, Li, X. | | Deposit date: | 2021-04-18 | | Release date: | 2022-04-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | Selenomethionine anti-Cas protein
To Be Published
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2I78
 | | Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor | | Descriptor: | (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE, Dipeptidyl peptidase IV | | Authors: | Longenecker, K.L, Pei, Z, Li, X. | | Deposit date: | 2006-08-30 | | Release date: | 2007-10-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
To be Published
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7DVL
 | | Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Subtype A3 | | Descriptor: | Bont/A3, ZINC ION | | Authors: | Wu, Y, Leka, O, Kammerer, R, Li, X. | | Deposit date: | 2021-01-13 | | Release date: | 2021-04-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Crystal structure of the catalytic domain of botulinum neurotoxin subtype A3.
J.Biol.Chem., 296, 2021
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7F9K
 | | Crystal structure of the variable region of Plasmodium RIFIN #6(PF3D7_1400600) | | Descriptor: | Rifin | | Authors: | Xie, Y, Song, H, Li, X, Qi, J, Gao, G.F. | | Deposit date: | 2021-07-04 | | Release date: | 2021-08-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural basis of malarial parasite RIFIN-mediated immune escape against LAIR1.
Cell Rep, 36, 2021
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7F9N
 | | Crystal structure of the variable region of Plasmodium RIFIN #4 (PF3D7_1000500) in complex with LAIR1 | | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1, Rifin | | Authors: | Xie, Y, Song, H, Li, X, Qi, J, Gao, G.F. | | Deposit date: | 2021-07-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of malarial parasite RIFIN-mediated immune escape against LAIR1.
Cell Rep, 36, 2021
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7F9L
 | | Crystal structure of the variable region of Plasmodium RIFIN #6 (PF3D7_1400600) in complex with LAIR1 (with T67L, N69S and A77T mutations) | | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1, Rifin | | Authors: | Xie, Y, Song, H, Li, X, Qi, J, Gao, G.F. | | Deposit date: | 2021-07-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of malarial parasite RIFIN-mediated immune escape against LAIR1.
Cell Rep, 36, 2021
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7F9M
 | | Crystal structure of the variable region of Plasmodium RIFIN #4 (PF3D7_1000500) in complex with LAIR1 (with T67L, N69S and A77T mutations) | | Descriptor: | Leukocyte-associated immunoglobulin-like receptor 1, Rifin | | Authors: | Xie, Y, Song, H, Li, X, Qi, J, Gao, G.F. | | Deposit date: | 2021-07-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of malarial parasite RIFIN-mediated immune escape against LAIR1.
Cell Rep, 36, 2021
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7D8G
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