4EHN
 
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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6TLC
 | | Unphosphorylated human STAT3 in complex with MS3-6 monobody | | Descriptor: | Monobody, Signal transducer and activator of transcription 3 | | Authors: | La Sala, G, Lau, K, Reynaud, A, Pojer, F, Hantschel, O. | | Deposit date: | 2019-12-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Selective inhibition of STAT3 signaling using monobodies targeting the coiled-coil and N-terminal domains.
Nat Commun, 11, 2020
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6TTX
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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4X4K
 | | Structure of laccase from Botrytis aclada with full copper content | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ... | | Authors: | Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Kittl, R, Shleev, S.V, Ludwig, R, Popov, V.O. | | Deposit date: | 2014-12-03 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Incorporation of copper ions into crystals of T2 copper-depleted laccase from Botrytis aclada.
Acta Crystallogr.,Sect.F, 71, 2015
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5FDK
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5FFL
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3OSS
 | | The crystal structure of enterotoxigenic Escherichia coli GspC-GspD complex from the type II secretion system | | Descriptor: | CALCIUM ION, CHLORIDE ION, TYPE 2 SECRETION SYSTEM, ... | | Authors: | Korotkov, K.V, Pruneda, J, Hol, W.G.J. | | Deposit date: | 2010-09-09 | | Release date: | 2011-08-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and functional studies on the interaction of GspC and GspD in the type II secretion system.
Plos Pathog., 7, 2011
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6TTP
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 1/Adenosine (DHU_M3M_023) | | Descriptor: | ACETATE ION, ADENOSINE, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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7VKE
 | | Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A | | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ... | | Authors: | Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K. | | Deposit date: | 2021-09-29 | | Release date: | 2022-08-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity.
Mabs, 14, 2022
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5NR7
 | | Mtb TMK crystal structure in complex with compound 43 | | Descriptor: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, Thymidylate kinase | | Authors: | Merceron, R, Song, L, Munier-Lehmann, H, Van Calenbergh, S, Savvides, S. | | Deposit date: | 2017-04-22 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors.
J. Med. Chem., 61, 2018
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5FB0
 | | Crystal Structure of a PHD finger bound to histone H3 T3ph peptide | | Descriptor: | Nuclear autoantigen Sp-100, Peptide from Histone H3, ZINC ION | | Authors: | Li, H, Zhang, X. | | Deposit date: | 2015-12-13 | | Release date: | 2016-05-04 | | Last modified: | 2016-06-22 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
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6TU1
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ASI_M3M_091) | | Descriptor: | (2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-31 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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6T0E
 | | The glucuronoyl esterase OtCE15A S267A variant from Opitutus terrae in complex with benzyl D-glucuronoate and D-glucuronate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mazurkewich, S, Navarro Poulsen, J.C, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2019-10-03 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components.
J.Biol.Chem., 294, 2019
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1GHT
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4EHF
 | | Allosteric Modulation of Caspase-3 through Mutagenesis | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. | | Deposit date: | 2012-04-02 | | Release date: | 2012-06-06 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
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6SKK
 | | Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8) | | Descriptor: | capsid protein | | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | | Deposit date: | 2019-08-15 | | Release date: | 2020-08-26 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
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2VEQ
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6SPM
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid | | Descriptor: | 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ... | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6SPU
 | | Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid | | Descriptor: | 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Oebbeke, M, Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 60, 2021
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2V1S
 | | CRYSTAL STRUCTURE OF RAT TOM20-ALDH PRESEQUENCE COMPLEX | | Descriptor: | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG | | Authors: | Obita, T, Igura, M, Ose, T, Endo, T, Maenaka, K, Kohda, D. | | Deposit date: | 2007-05-29 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Tom20 Recognizes Mitochondrial Presequences Through Dynamic Equilibrium Among Multiple Bound States.
Embo J., 26, 2007
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4WGJ
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4M55
 | | Crystal structure of Human UDP-xylose synthase R236H substitution | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYROPHOSPHATE 2-, SULFATE ION, ... | | Authors: | Walsh Jr, R.M, Polizzi, S.J, Wood, Z.A. | | Deposit date: | 2013-08-08 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
Biochemistry, 54, 2015
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4WQT
 | | Thermus thermophilus RNA polymerase complexed with an RNA cleavage stimulating factor (a GreA/Gfh1 chimeric protein) | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Murayama, Y, Sekine, S, Yokoyama, S. | | Deposit date: | 2014-10-22 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | The Ratcheted and Ratchetable Structural States of RNA Polymerase Underlie Multiple Transcriptional Functions.
Mol.Cell, 57, 2015
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7KDT
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2VY6
 | | Two domains from the C-terminal region of influenza A virus polymerase PB2 subunit | | Descriptor: | POLYMERASE BASIC PROTEIN 2 | | Authors: | Tarendeau, F, Crepin, T, Guilligay, D, Ruigrok, R, Cusack, S, Hart, D. | | Deposit date: | 2008-07-18 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Host Determinant Residue Lysine 627 Lies on the Surface of a Discrete, Folded Domain of Influenza Virus Polymerase Pb2 Subunit
Plos Pathog., 4, 2008
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