7B8F
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![BU of 7b8f by Molmil](/molmil-images/mine/7b8f) | Notum-Fragment 154 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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4PZZ
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![BU of 4pzz by Molmil](/molmil-images/mine/4pzz) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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1BEV
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![BU of 1bev by Molmil](/molmil-images/mine/1bev) | BOVINE ENTEROVIRUS VG-5-27 | Descriptor: | BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4, MYRISTIC ACID, SULFATE ION | Authors: | Smyth, M, Tate, J, Lyons, C, Hoey, E, Martin, S, Stuart, D. | Deposit date: | 1996-04-03 | Release date: | 1998-09-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Implications for viral uncoating from the structure of bovine enterovirus. Nat.Struct.Biol., 2, 1995
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5EZR
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![BU of 5ezr by Molmil](/molmil-images/mine/5ezr) | Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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3KH3
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![BU of 3kh3 by Molmil](/molmil-images/mine/3kh3) | |
4LOG
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![BU of 4log by Molmil](/molmil-images/mine/4log) | The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP | Descriptor: | Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct | Authors: | Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E. | Deposit date: | 2013-07-12 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation. Plos One, 8, 2013
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8T3J
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![BU of 8t3j by Molmil](/molmil-images/mine/8t3j) | Crystal structure of native exfoliative toxin C (ExhC) from Mammaliicoccus sciuri | Descriptor: | Exfoliative toxin C | Authors: | Calil, F.A, Gismene, C, Hernandez Gonzalez, J.E, Ziem Nascimento, A.F, Santisteban, A.R.N, Arni, R.K, Barros Mariutti, R. | Deposit date: | 2023-06-07 | Release date: | 2023-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Necrotic activity of ExhC from Mammaliicoccus sciuri is mediated by specific amino acid residues. Int.J.Biol.Macromol., 254, 2024
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3AMV
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![BU of 3amv by Molmil](/molmil-images/mine/3amv) | ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG | Descriptor: | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM, GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), ... | Authors: | Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T. | Deposit date: | 1999-02-18 | Release date: | 1999-02-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate. Protein Sci., 8, 1999
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3KJ0
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![BU of 3kj0 by Molmil](/molmil-images/mine/3kj0) | Mcl-1 in complex with Bim BH3 mutant I2dY | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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2OS1
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![BU of 2os1 by Molmil](/molmil-images/mine/2os1) | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes | Descriptor: | ACTINONIN, NICKEL (II) ION, Peptide deformylase, ... | Authors: | Kim, E.E, Kim, K.-H, Moon, J.H, Choi, K, Lee, H.K, Park, H.S. | Deposit date: | 2007-02-05 | Release date: | 2008-03-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of actinonin bound peptide deformylases from E. faecalis and S. pyogenes To be Published
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1BHN
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![BU of 1bhn by Molmil](/molmil-images/mine/1bhn) | NUCLEOSIDE DIPHOSPHATE KINASE ISOFORM A FROM BOVINE RETINA | Descriptor: | GUANOSINE-3',5'-MONOPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, NUCLEOSIDE DIPHOSPHATE TRANSFERASE | Authors: | Ladner, J.E, Abdulaev, N.G, Kakuev, D.L, Karaschuk, G.N, Tordova, M, Eisenstein, E, Fujiwara, J.H, Ridge, K.D, Gilliland, G.L. | Deposit date: | 1998-06-10 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structures of two isoforms of nucleoside diphosphate kinase from bovine retina. Acta Crystallogr.,Sect.D, 55, 1999
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8PAK
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![BU of 8pak by Molmil](/molmil-images/mine/8pak) | Crystal Structure of a Squalene-Hopene Cyclase from Cystobacter fuscus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | Authors: | Worthy, H.L, Mitchell, D.E, Isupov, M.N, Littlechild, J.A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structure of Mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra To Be Published
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7B8G
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![BU of 7b8g by Molmil](/molmil-images/mine/7b8g) | Notum-Fragment 159 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-phenylmethoxyaniline, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7TFH
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![BU of 7tfh by Molmil](/molmil-images/mine/7tfh) | Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to two DNA molecules, one at the 5'-recessed end and the other at the 3'-recessed end | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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4HRR
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![BU of 4hrr by Molmil](/molmil-images/mine/4hrr) | Scapharca tetrameric hemoglobin, CO-state | Descriptor: | CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ... | Authors: | Royer, W.E. | Deposit date: | 2012-10-28 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis. Biochemistry, 52, 2013
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3KJ1
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![BU of 3kj1 by Molmil](/molmil-images/mine/3kj1) | Mcl-1 in complex with Bim BH3 mutant I2dA | Descriptor: | ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ... | Authors: | Fire, E, Grant, R.A, Keating, A.E. | Deposit date: | 2009-11-02 | Release date: | 2010-02-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes. Protein Sci., 19, 2010
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7TFI
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![BU of 7tfi by Molmil](/molmil-images/mine/7tfi) | Atomic model of the S. cerevisiae clamp-clamp loader complex PCNA-RFC bound to DNA with an open clamp | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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4EST
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![BU of 4est by Molmil](/molmil-images/mine/4est) | CRYSTAL STRUCTURE OF THE COVALENT COMPLEX FORMED BY A PEPTIDYL ALPHA,ALPHA-DIFLUORO-BETA-KETO AMIDE WITH PORCINE PANCREATIC ELASTASE AT 1.78-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, ELASTASE, INHIBITOR ACE-ALA-PRO-VAI-DIFLUORO-N-PHENYLETHYLACETAMIDE, ... | Authors: | Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F, Trainor, D.A. | Deposit date: | 1989-05-15 | Release date: | 1992-04-15 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal Structure of the Covalent Complex Formed by a Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution J.Am.Chem.Soc., 111, 1989
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4WOR
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3TAG
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![BU of 3tag by Molmil](/molmil-images/mine/3tag) | 5-fluorocytosine paired with dAMP in RB69 gp43 | Descriptor: | DNA (5'-D(*CP*CP*(C37)P*GP*GP*TP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*AP*CP*CP*A)-3'), DNA-directed DNA polymerase, ... | Authors: | Zahn, K.E. | Deposit date: | 2011-08-04 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The miscoding potential of 5-hydroxycytosine arises due to template instability in the replicative polymerase active site. Biochemistry, 50, 2011
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3KZ0
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![BU of 3kz0 by Molmil](/molmil-images/mine/3kz0) | MCL-1 complex with MCL-1-specific selected peptide | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ... | Authors: | Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E. | Deposit date: | 2009-12-07 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.349 Å) | Cite: | Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL. J.Mol.Biol., 398, 2010
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3KH4
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8PFD
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![BU of 8pfd by Molmil](/molmil-images/mine/8pfd) | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | Deposit date: | 2023-06-15 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation. Proc.Natl.Acad.Sci.USA, 120, 2023
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1LQO
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![BU of 1lqo by Molmil](/molmil-images/mine/1lqo) | Crystal Strutcure of the Fosfomycin Resistance Protein A (FosA) Containing Bound Thallium Cations | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, PROBABLE Fosfomycin Resistance Protein, ... | Authors: | Rife, C.L, Pharris, R.E, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2002-05-11 | Release date: | 2002-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a genomically encoded fosfomycin resistance protein (FosA) at 1.19 A resolution by MAD
phasing off the L-III edge of Tl(+) J.Am.Chem.Soc., 124, 2002
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5I3G
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![BU of 5i3g by Molmil](/molmil-images/mine/5i3g) | Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase | Descriptor: | Triosephosphate isomerase, glycosomal | Authors: | Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. | Deposit date: | 2016-02-10 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase. Biochemistry, 55, 2016
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