3T9T
 
 | | Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline | | Descriptor: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK | | Authors: | Han, S, Caspers, N. | | Deposit date: | 2011-08-03 | | Release date: | 2011-10-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
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7N18
 | | Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid | | Descriptor: | (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ... | | Authors: | Silvaggi, N.R, Allen, K.N. | | Deposit date: | 2021-05-27 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
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3U74
 | | Crystal structure of stabilized human uPAR mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor | | Authors: | Huang, M.D, Xu, X, Yuan, C. | | Deposit date: | 2011-10-13 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystal structure of the urokinase receptor in a ligand-free form.
J.Mol.Biol., 416, 2012
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6J6O
 | | Crystal structure of diamondback moth ryanodine receptor phosphorylation domain(2836-3050) | | Descriptor: | CHLORIDE ION, GLYCEROL, Ryanodine receptor, ... | | Authors: | Xu, T, Lin, L, Yuchi, Z. | | Deposit date: | 2019-01-15 | | Release date: | 2019-09-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Crystal structure of diamondback moth ryanodine receptor Repeat34 domain reveals insect-specific phosphorylation sites.
Bmc Biol., 17, 2019
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3U73
 | | Crystal structure of stabilized human uPAR mutant in complex with ATF | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ... | | Authors: | Huang, M.D, Xu, X, Yuan, C. | | Deposit date: | 2011-10-13 | | Release date: | 2012-04-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Crystal structure of the urokinase receptor in a ligand-free form.
J.Mol.Biol., 416, 2012
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8W41
 | | Cryo-EM structure of Myosin VI in the autoinhibited state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-1, ... | | Authors: | Niu, F, Wei, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Autoinhibition and activation of myosin VI revealed by its cryo-EM structure.
Nat Commun, 15, 2024
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7E7L
 | | The crystal structure of arylacetate decarboxylase from Olsenella scatoligenes. | | Descriptor: | 4-HYDROXYPHENYLACETATE, Hydroxyphenylacetic acid decarboxylase | | Authors: | Lu, Q, Duan, Y, Zhang, Y, Yuchi, Z. | | Deposit date: | 2021-02-26 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | The Glycyl Radical Enzyme Arylacetate Decarboxylase from Olsenella scatoligenes
Acs Catalysis, 11, 2021
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7EEV
 | | Structure of UTP cyclohydrolase | | Descriptor: | DEOXYURIDINE-5'-TRIPHOSPHATE, GTP cyclohydrolase II, ZINC ION | | Authors: | Zhang, H, Zhang, Y, Yuchi, Z. | | Deposit date: | 2021-03-19 | | Release date: | 2021-07-28 | | Last modified: | 2022-09-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and biochemical investigation of UTP cyclohydrolase
Acs Catalysis, 2021
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7EJ3
 | | UTP cyclohydrolase | | Descriptor: | DIPHOSPHATE, GLYCINE, GTP cyclohydrolase II, ... | | Authors: | Zhang, H, Zhang, Y, Yuchi, Z. | | Deposit date: | 2021-04-01 | | Release date: | 2022-09-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and biochemical investigation of UTP cyclohydrolase
Acs Catalysis, 2021
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2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | Descriptor: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | Authors: | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
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4FSF
 | | Crystal structure of Pseudomonas aeruginosa PBP3 complexed with compound 14 | | Descriptor: | (4R,5S,8Z)-8-(2-amino-1,3-thiazol-4-yl)-1-[3-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-1,2-oxazol-5-yl]-5-formyl-11,11-dimethyl-1,7-dioxo-4-(sulfoamino)-10-oxa-2,6,9-triazadodec-8-en-12-oic acid, Penicillin-binding protein 3 | | Authors: | Han, S. | | Deposit date: | 2012-06-27 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel monobactams utilizing a siderophore uptake mechanism for the treatment of gram-negative infections.
Bioorg.Med.Chem.Lett., 22, 2012
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7XOW
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | Gastrin, Gastrin/cholecystokinin type B receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
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7XOU
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | CCK-8, Cholecystokinin receptor type A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
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7XOV
 | | Structural insights into human brain gut peptide cholecystokinin receptors | | Descriptor: | 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid, Cholecystokinin receptor type A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Ding, Y, Zhang, H, Liao, Y, Chen, L, Ji, S. | | Deposit date: | 2022-05-01 | | Release date: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into human brain-gut peptide cholecystokinin receptors.
Cell Discov, 8, 2022
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3BT2
 | | Structure of urokinase receptor, urokinase and vitronectin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ... | | Authors: | Huang, M. | | Deposit date: | 2007-12-27 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
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3BT1
 | | Structure of urokinase receptor, urokinase and vitronectin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, Urokinase-type plasminogen activator, ... | | Authors: | Huang, M. | | Deposit date: | 2007-12-27 | | Release date: | 2008-03-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
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8IMS
 | | Crystal structure of TRAF7 coiled-coil domain | | Descriptor: | E3 ubiquitin-protein ligase TRAF7 | | Authors: | Hu, R, Lin, L, Lu, Q. | | Deposit date: | 2023-03-07 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The structure of TRAF7 coiled-coil trimer provides insight into its function in zebrafish embryonic development.
J Mol Cell Biol, 2024
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2RJP
 | | Crystal structure of ADAMTS4 with inhibitor bound | | Descriptor: | ADAMTS-4, CALCIUM ION, N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-4-yl}sulfonyl)-D-valine, ... | | Authors: | Mosyak, L, Stahl, M, Somers, W. | | Deposit date: | 2007-10-15 | | Release date: | 2007-12-11 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
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2RJQ
 | | Crystal structure of ADAMTS5 with inhibitor bound | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ADAMTS-5, ... | | Authors: | Mosyak, L, Stahl, M, Somers, W. | | Deposit date: | 2007-10-15 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
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4BMM
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide | | Descriptor: | 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M. | | Deposit date: | 2013-05-09 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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4C0C
 | | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | | Descriptor: | 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | | Deposit date: | 2013-08-01 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
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1RSM
 | | THE 2-ANGSTROMS RESOLUTION STRUCTURE OF A THERMOSTABLE RIBONUCLEASE A CHEMICALLY CROSS-LINKED BETWEEN LYSINE RESIDUES 7 AND 41 | | Descriptor: | DINITROPHENYLENE, RIBONUCLEASE A | | Authors: | Weber, P.C, Sheriff, S, Ohlendorf, D.H, Finzel, B.C, Salemme, F.R. | | Deposit date: | 1985-08-27 | | Release date: | 1986-01-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2-A resolution structure of a thermostable ribonuclease A chemically cross-linked between lysine residues 7 and 41.
Proc.Natl.Acad.Sci.USA, 82, 1985
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9EYR
 | | VDR complex with gemini analog UG-480 | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2024-04-09 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 2024
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9FBF
 | | VDR complex with UG-481 | | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2024-05-13 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 2024
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6XKK
 | | Cryo-EM structure of the NLRP1-CARD filament | | Descriptor: | NACHT, LRR and PYD domains-containing protein 1 | | Authors: | Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H. | | Deposit date: | 2020-06-26 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes.
Nat Commun, 12, 2021
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