6LCY
| Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | Authors: | Zhang, Y, Zhang, X, Rao, F, Wang, C. | Deposit date: | 2019-11-20 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis. Nat Metab, 3, 2021
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4YWZ
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7BUY
| The crystal structure of COVID-19 main protease in complex with carmofur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-04-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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8ZF1
| Crystal structure of a Chemo Triplet Photoenzyme (CTPe) | Descriptor: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide, Transcriptional regulator, PadR-like family | Authors: | Chen, X, Qian, J.Y, Guo, J, Wu, Y.Z, Zhong, F.R. | Deposit date: | 2024-05-07 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells. J.Am.Chem.Soc., 146, 2024
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6DD7
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4FFV
| Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | Descriptor: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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8XR4
| Crystal structure of AKRtyl-NADP(H) complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8HOG
| Crystal structure of Bcl-2 in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOH
| Crystal structure of Bcl-2 G101V in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOI
| Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8XR3
| Crystal structure of AKRtyl-apo2 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR2
| Crystal structure of AKRtyl-apo1 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8X91
| P/Q type calcium channel in complex with omega-conotoxin MVIIC | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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8X90
| P/Q type calcium channel | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE], 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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8X93
| P/Q type calcium channel in complex with omega-Agatoxin IVA | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, N, Li, Z, Cong, Y, Wu, T, Wang, T. | Deposit date: | 2023-11-29 | Release date: | 2024-03-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structural basis for different omega-agatoxin IVA sensitivities of the P-type and Q-type Ca v 2.1 channels. Cell Res., 34, 2024
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9JDV
| Human URAT1 bound with Uric acid | Descriptor: | Solute carrier family 22 member 12, URIC ACID | Authors: | Wu, C, Xu, H.E. | Deposit date: | 2024-09-01 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs Biorxiv, 2024
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9JDY
| Human URAT1 bound with verinurad | Descriptor: | Solute carrier family 22 member 12, verinurad | Authors: | Wu, C, Xu, H.E. | Deposit date: | 2024-09-01 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs Biorxiv, 2024
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9JDZ
| Human URAT1 bound to lesinurad | Descriptor: | Solute carrier family 22 member 12, lesinurad | Authors: | Wu, C, Xu, H.E. | Deposit date: | 2024-09-01 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs Biorxiv, 2024
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9JE1
| Human URAT1 bound to dotinurad | Descriptor: | Solute carrier family 22 member 12, dotinurad | Authors: | Wu, C, Xu, H.E. | Deposit date: | 2024-09-01 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs Biorxiv, 2024
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9JE0
| Human URAT1 bound to benzbromarone | Descriptor: | Solute carrier family 22 member 12, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | Authors: | Wu, C, Xu, H.E. | Deposit date: | 2024-09-01 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs Biorxiv, 2024
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5BPE
| Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro | Authors: | Luqing, S, Yin, Z. | Deposit date: | 2015-05-28 | Release date: | 2015-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease J.Med.Chem., 58, 2015
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6OAP
| Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OAQ
| Crystal structure of a dual sensor histidine kinase in BeF3- bound state | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-18 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
| Crystal structure of a dual sensor histidine kinase in green light illuminated state | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | Deposit date: | 2019-03-19 | Release date: | 2019-09-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase. Proc.Natl.Acad.Sci.USA, 116, 2019
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2ICA
| CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid | Descriptor: | 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L | Authors: | Sheriff, S, Einspahr, H. | Deposit date: | 2006-09-12 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1. J.Med.Chem., 49, 2006
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