2QMK
 
 | | Human pancreatic alpha-amylase complexed with nitrite | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ... | | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-07-16 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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1M76
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1M75
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3BAJ
 | | Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-11-07 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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3L8X
 | | P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor | | Descriptor: | Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | Authors: | Sack, J.S. | | Deposit date: | 2010-01-04 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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6KX3
 | | Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2019-09-09 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.981 Å) | | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
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6KX2
 | | Crystal structure of GDP bound RhoA protein | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2019-09-09 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
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7UYB
 | | Inhibitor bound VIM1 | | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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5FM2
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | Deposit date: | 2015-10-30 | | Release date: | 2016-12-28 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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7UYC
 | | Inhibitor bound VIM1 | | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | | Authors: | Fischmann, T.O, Scapin, G. | | Deposit date: | 2022-05-06 | | Release date: | 2023-05-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
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2QV4
 | | Human pancreatic alpha-amylase complexed with nitrite and acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ... | | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-08-07 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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3BAX
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3BAY
 | | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | | Deposit date: | 2007-11-08 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
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1LSO
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5FM3
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | Deposit date: | 2015-10-30 | | Release date: | 2016-12-28 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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7RAR
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7RJ2
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7RJ4
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7RHN
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7RHM
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7RMJ
 | | Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide | | Descriptor: | CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ... | | Authors: | Bester, S.M, Kvaratskhelia, M. | | Deposit date: | 2021-07-27 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
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7RMM
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7RAO
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