2RIX
 
 | | B-specific-1,3-galactosyltransferase)(GTB) + UDP | | Descriptor: | GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... | | Authors: | Evans, S.V, Alfaro, J.A. | | Deposit date: | 2007-10-13 | | Release date: | 2008-02-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
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8UVO
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC804515) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, N-[3-(2,5-difluoro-4-{[(4M)-5-(hexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl]propanamide, Transitional endoplasmic reticulum ATPase | | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | | Deposit date: | 2023-11-03 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8UVP
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up) | | Descriptor: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | | Deposit date: | 2023-11-03 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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8UVQ
 | | Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/down) | | Descriptor: | 2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Nandi, P, DeVore, K, Chiu, P.-L. | | Deposit date: | 2023-11-03 | | Release date: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.
Commun Chem, 7, 2024
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4UYA
 | | Structure of MLK4 kinase domain with ATPgammaS | | Descriptor: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | | Deposit date: | 2014-08-29 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis.
Cancer Res., 76, 2016
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7SA5
 | | Two-state solution NMR structure of Apo Pin1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Born, A, Vogeli, B. | | Deposit date: | 2021-09-22 | | Release date: | 2021-10-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
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4HY0
 | | Crystal structure of XIAP BIR3 with T3256336 | | Descriptor: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | | Authors: | Snell, G.S, Dougan, D.R. | | Deposit date: | 2012-11-12 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic.
J.Med.Chem., 56, 2013
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7CKI
 | | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin and ATP | | Descriptor: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Lyu, G, Fan, S, Jin, Y, Liu, J, Zou, S, Wu, G, Yang, Z. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin and ATP
To Be Published
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7CMS
 | | Crystal structure of Tryptophanyl-tRNA synthetase from Bacillus stearothermophilus in complex with chuangxinmycin | | Descriptor: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, PHOSPHATE ION, Tryptophan--tRNA ligase | | Authors: | Lyu, G, Fan, S, Jin, Y, Zou, S, Wu, G, Yang, Z. | | Deposit date: | 2020-07-28 | | Release date: | 2021-08-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the specific interaction between Geobacillus stearothermophilus tryptophanyl-tRNA synthetase and antimicrobial Chuangxinmycin.
J.Biol.Chem., 298, 2022
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7LEW
 | | Crystal structure of UBE2G2 in complex with the UBE2G2-binding region of AUP1 | | Descriptor: | Lipid droplet-regulating VLDL assembly factor AUP1, Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Liang, Y.-H, Smith, C.E, Tsai, Y.C, Weissman, A.M, Ji, X. | | Deposit date: | 2021-01-15 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.736 Å) | | Cite: | A structurally conserved site in AUP1 binds the E2 enzyme UBE2G2 and is essential for ER-associated degradation.
Plos Biol., 19, 2021
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6SDF
 | | N-terminal SH3 domain of Grb2 protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Growth factor receptor-bound protein 2 | | Authors: | Bolgov, A.A, Korban, S.A, Luzik, D.A, Rogacheva, O.N, Zhemkov, V.A, Kim, M, Skrynnikov, N.R, Bezprozvanny, I.B. | | Deposit date: | 2019-07-26 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the SH3 domain of growth factor receptor-bound protein 2.
Acta Crystallogr.,Sect.F, 76, 2020
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8JIT
 | | Cryo-EM structure of the GLP-1R/GCGR dual agonist MEDI0382-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | | Deposit date: | 2023-05-27 | | Release date: | 2023-09-06 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8JIQ
 | | Cryo-EM structure of the GLP-1R/GCGR dual agonist Peptide 15-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | | Deposit date: | 2023-05-27 | | Release date: | 2023-09-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4XXH
 | | TREHALOSE REPRESSOR FROM ESCHERICHIA COLI | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, HTH-type transcriptional regulator TreR | | Authors: | Hars, U, Horlacher, R, Boos, W, Smart, O.S, Bricogne, G, Welte, W, Diederichs, K. | | Deposit date: | 2015-01-30 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CRYSTAL STRUCTURE OF THE EFFECTOR-BINDING DOMAIN OF THE TREHALOSE-REPRESSOR OF ESCHERICHIA COLI, A MEMBER OF THE LACI FAMILY, IN ITS COMPLEXES WITH INDUCER TREHALOSE-6-PHOSPHATE AND NONINDUCER TREHALOSE.
PROTEIN SCI., 7, 1998
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8JIU
 | | Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GCGR-Gs complex | | Descriptor: | Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T. | | Deposit date: | 2023-05-27 | | Release date: | 2023-09-13 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5L1G
 | | AMPA subtype ionotropic glutamate receptor GluA2 in complex with GYKI-Br | | Descriptor: | (8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | | Authors: | Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I. | | Deposit date: | 2016-07-29 | | Release date: | 2016-10-19 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (4.507 Å) | | Cite: | Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
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6JMV
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8W6P
 | | Crystal structure of dimeric murine SMPDL3A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | | Authors: | Zhang, C, Liu, P, Fan, S, Hou, Y. | | Deposit date: | 2023-08-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
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8W6R
 | | murine SMPDL3A bound to sulfate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ... | | Authors: | Zhang, C, Liu, P, Fan, S. | | Deposit date: | 2023-08-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | SMPDL3A is a cGAMP-degrading enzyme induced by LXR-mediated lipid metabolism to restrict cGAS-STING DNA sensing.
Immunity, 56, 2023
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1QY2
 | | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | | Descriptor: | 2-ISOPROPYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | | Deposit date: | 2003-09-09 | | Release date: | 2004-02-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein.
J.Am.Chem.Soc., 126, 2004
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1QVS
 | | Crystal Structure of Haemophilus influenzae H9A mutant Holo Ferric ion-Binding Protein A | | Descriptor: | FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION | | Authors: | Shouldice, S.R, Skene, R.J, Dougan, D.R, McRee, D.E, Tari, L.W, Schryvers, A.B. | | Deposit date: | 2003-08-28 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Presence of ferric hydroxide clusters in mutants of Haemophilus influenzae ferric ion-binding protein A
Biochemistry, 42, 2003
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8GT6
 | | human STING With agonist HB3089 | | Descriptor: | 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
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8GSZ
 | | Structure of STING SAVI-related mutant V147L | | Descriptor: | Stimulator of interferon genes protein | | Authors: | Wang, Z, Yu, X. | | Deposit date: | 2022-09-07 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
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1QY1
 | | Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein | | Descriptor: | 2-ISOBUTYL-3-METHOXYPYRAZINE, CADMIUM ION, Major Urinary Protein, ... | | Authors: | Bingham, R.J, Findlay, J.B.C, Hsieh, S.-Y, Kalverda, A.P, Kjellberg, A, Perazzolo, C, Phillips, S.E.V, Seshadri, K, Trinh, C.H, Turnbull, W.B, Bodenhausen, G, Homans, S.W. | | Deposit date: | 2003-09-09 | | Release date: | 2004-02-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein.
J.Am.Chem.Soc., 126, 2004
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1MX7
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