6VBX
| Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | Authors: | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | Deposit date: | 2019-12-19 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. J.Med.Chem., 64, 2021
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2HMW
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2HMT
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7NNH
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2HMS
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2HMU
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2HMV
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2F8I
| Human transthyretin (TTR) complexed with Benzoxazole | Descriptor: | 2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID, Transthyretin | Authors: | Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C, Kelly, J.W. | Deposit date: | 2005-12-02 | Release date: | 2005-12-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | Benzoxazoles as transthyretin amyloid fibril inhibitors: synthesis, evaluation, and mechanism of action Angew.Chem.Int.Ed.Engl., 42, 2003
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8U0V
| S. cerevisiae Pex1/Pex6 with 1 mM ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peroxisomal ATPase PEX1, Peroxisomal ATPase PEX6 | Authors: | Gardner, B.M. | Deposit date: | 2023-08-29 | Release date: | 2023-12-13 | Last modified: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1. J.Biol.Chem., 300, 2023
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7KES
| Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in complex with apramycin and CoA | Descriptor: | APRAMYCIN, Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, ... | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-10-12 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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7KXI
| Structure of XL5-ligated hRpn13 Pru domain | Descriptor: | 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1 | Authors: | Lu, X, Walters, K.J. | Deposit date: | 2020-12-03 | Release date: | 2021-12-15 | Last modified: | 2021-12-29 | Method: | SOLUTION NMR | Cite: | Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma. Nat Commun, 12, 2021
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4IO8
| Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)-6-Amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile | Descriptor: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, Heat shock 70kDa protein 1A variant | Authors: | Musil, D, Scholz, S. | Deposit date: | 2013-01-07 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Functional analysis of hsp70 inhibitors. Plos One, 8, 2013
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7KP6
| Structure of Ack1 kinase in complex with a selective inhibitor | Descriptor: | 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION | Authors: | Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A. | Deposit date: | 2020-11-10 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance. Nat Commun, 13, 2022
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7LAP
| Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa | Descriptor: | Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-06 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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7LAO
| Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION | Authors: | Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-06 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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1HCF
| Crystal structure of TrkB-d5 bound to neurotrophin-4/5 | Descriptor: | BDNF/NT-3 GROWTH FACTORS RECEPTOR, NEUROTROPHIN-4, SULFATE ION | Authors: | Banfield, M.J, Naylor, R.L, Robertson, A.G.S, Allen, S.J, Dawbarn, D, Brady, R.L. | Deposit date: | 2001-05-03 | Release date: | 2001-12-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Specificity in Trk-Receptor:Neurotrophin Interaction: The Crystal Structure of Trkb-D5 in Complex with Neurotrophin-4/5 Structure, 9, 2001
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4NKR
| The Crystal structure of Bacillus subtilis MobB | Descriptor: | Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION | Authors: | Choe, J, Kim, D, Choi, S, Kim, H. | Deposit date: | 2013-11-13 | Release date: | 2014-11-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Insight into the Role of E.coli MobB in Molybdenum Cofactor Biosynthesis based on the high resolution crystal structure TO BE PUBLISHED
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3O0G
| Crystal Structure of Cdk5:p25 in complex with an ATP analogue | Descriptor: | Cell division protein kinase 5, Cyclin-dependent kinase 5 activator 1, {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone | Authors: | Mapelli, M. | Deposit date: | 2010-07-19 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Defining Cdk5 ligand chemical space with small molecule inhibitors of Tau phosphorylation Chem.Biol., 12, 2005
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7V4E
| Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding. | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, VpsR | Authors: | Chakrabortty, T, Sen, U. | Deposit date: | 2021-08-12 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding. J.Mol.Biol., 434, 2022
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7V2B
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4MID
| Crystal Structure of Activin A/BMP2 chimera | Descriptor: | AB204 Activin A/BMP2 chimera | Authors: | Esquivies, L. | Deposit date: | 2013-08-30 | Release date: | 2014-05-07 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.139 Å) | Cite: | An Activin A/BMP2 Chimera, AB204, Displays Bone-Healing Properties Superior to Those of BMP2. J.Bone Miner.Res., 29, 2014
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3RG9
| Trypanosoma brucei dihydrofolate reductase (TbDHFR) in complex with WR99210 | Descriptor: | 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Vanichtanankul, J, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2011-04-08 | Release date: | 2011-06-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
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3QGT
| Crystal structure of Wild-type PfDHFR-TS COMPLEXED WITH NADPH, dUMP AND PYRIMETHAMINE | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuthavong, Y. | Deposit date: | 2011-01-24 | Release date: | 2011-06-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Trypanosomal dihydrofolate reductase reveals natural antifolate resistance Acs Chem.Biol., 6, 2011
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3NSJ
| The X-ray crystal structure of lymphocyte perforin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Law, R.H, Whisstock, J.C, Caradoc-Davies, T.T. | Deposit date: | 2010-07-01 | Release date: | 2010-11-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The structural basis for membrane binding and pore formation by lymphocyte perforin. Nature, 468, 2010
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4N1D
| Nodal/BMP2 chimera NB250 | Descriptor: | Nodal/BMP2 chimera protein | Authors: | Esquivies, L. | Deposit date: | 2013-10-04 | Release date: | 2013-12-04 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Designer Nodal/BMP2 Chimeras Mimic Nodal Signaling, Promote Chondrogenesis, and Reveal a BMP2-like Structure. J.Biol.Chem., 289, 2014
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