8ECV
 
 | | Bovine Fab 2F12 | | Descriptor: | 2F12 Fab Heavy chain, 2F12 Fab Light chain | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8ED1
 | | Bovine Fab 5C1 | | Descriptor: | 5C1 Fab heavy chain, 5C1 Fab light chain, GLYCEROL, ... | | Authors: | Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2022-09-02 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7SUH
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 15 | | Descriptor: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2021-11-17 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
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8DOT
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7SUI
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 | | Descriptor: | (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2021-11-17 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
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7SUG
 | | Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09 | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Palte, R.L. | | Deposit date: | 2021-11-17 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.
J.Med.Chem., 65, 2022
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5NGB
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5VMV
 | | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with its double CpG-methylated DNA consensus binding site | | Descriptor: | CHLORIDE ION, DNA (5'-D(*TP*GP*CP*TP*TP*CP*TP*(5CM)P*GP*(5CM)P*GP*AP*GP*AP*AP*GP*CP*A)-3'), Transcriptional regulator Kaiso, ... | | Authors: | Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2017-04-28 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
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5VMX
 | | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS) | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ... | | Authors: | Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2017-04-28 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
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1YW2
 | | Mutated Mus Musculus P38 Kinase (mP38) | | Descriptor: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | | Authors: | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | | Deposit date: | 2005-02-16 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.
Bioorg.Med.Chem.Lett., 15, 2005
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5NP1
 | | Open protomer of human ATM (Ataxia telangiectasia mutated) | | Descriptor: | Serine-protein kinase ATM | | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | | Deposit date: | 2017-04-13 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Structures of closed and open conformations of dimeric human ATM.
Sci Adv, 3, 2017
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1LI4
 | | Human S-adenosylhomocysteine hydrolase complexed with neplanocin | | Descriptor: | 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL, ISOPROPYL ALCOHOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yang, X, Hu, Y, Yin, D.H, Turner, M.A, Wang, M, Borchardt, R.T, Howell, P.L, Kuczera, K, Schowen, R.L. | | Deposit date: | 2002-04-17 | | Release date: | 2003-05-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Catalytic strategy of S-adenosyl-L-homocysteine hydrolase: Transition-state
stabilization and the avoidance of abortive reactions
Biochemistry, 42, 2003
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7SOG
 | | Thermostable actophorin | | Descriptor: | Actophorin, NICKEL (II) ION | | Authors: | Lieberman, R.L, Quirk, S. | | Deposit date: | 2021-10-30 | | Release date: | 2022-04-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure and activity of a thermally stable mutant of Acanthamoeba actophorin.
Acta Crystallogr.,Sect.F, 78, 2022
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2N9O
 | | Solution structure of RNF126 N-terminal zinc finger domain | | Descriptor: | E3 ubiquitin-protein ligase RNF126, ZINC ION | | Authors: | Martinez-Lumbreras, S, Krysztofinska, E.M, Thapaliya, A, Isaacson, R.L. | | Deposit date: | 2015-12-01 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and functional insights into the E3 ligase, RNF126.
Sci Rep, 6, 2016
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5UM8
 | | Crystal structure of HIV-1 envelope trimer 16055 NFL TD CC (T569G) in complex with Fabs 35022 and PGT124 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 35022 heavy chain, ... | | Authors: | Garces, F, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2017-01-26 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.935 Å) | | Cite: | Glycine Substitution at Helix-to-Coil Transitions Facilitates the Structural Determination of a Stabilized Subtype C HIV Envelope Glycoprotein.
Immunity, 46, 2017
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4ZDP
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7R6O
 | | Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS) | | Descriptor: | 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION | | Authors: | Frkic, R.L, Huber, T, Jackson, C.J. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
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4WYN
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7KLM
 | | Human Arginase1 Complexed with Inhibitor Compound 24a | | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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7KLL
 | | Human Arginase1 Complexed with Inhibitor Compound 18 | | Descriptor: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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7KLK
 | | Human Arginase1 Complexed with Inhibitor Compound 3a | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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7RNW
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5LYN
 | | Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment | | Descriptor: | PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION | | Authors: | Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L. | | Deposit date: | 2016-09-28 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
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5SXY
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2OJZ
 | | Anti-DNA antibody ED10 | | Descriptor: | Fab ED10 heavy chain, Fab ED10 light chain | | Authors: | Stanfield, R.L, Sanguineti, S, Wilson, I.A, de Prat-Gay, G. | | Deposit date: | 2007-01-15 | | Release date: | 2007-06-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Specific recognition of a DNA immunogen by its elicited antibody
J.Mol.Biol., 370, 2007
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