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2I80	Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies Descriptor: 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase Authors: Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R. Deposit date: 2006-08-31 Release date: 2006-09-26 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies. Proc.Natl.Acad.Sci.Usa, 103, 2006
2I1T	Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels Descriptor: Jingzhaotoxin-3 Authors: Liao, Z, Peng, K, Liang, S. Deposit date: 2006-08-15 Release date: 2006-08-29 Last modified: 2022-03-09 Method: SOLUTION NMR Cite: Solution structure of Jingzhaotoxin-III, a novel toxin inhibiting both Nav and Kv channels To be Published
6OQC	Crystal structure of Mcl1 with inhibitor 9 Descriptor: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 Authors: Huang, X. Deposit date: 2019-04-26 Release date: 2019-05-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. CANCER DISCOV, 8, 2018
2GDO	4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors Descriptor: 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 Authors: Le, V, Dove, J, Fang, E, Bussiere, D.E. Deposit date: 2006-03-16 Release date: 2007-03-20 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (3 Å) Cite: 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
2GFP	Structure of the Multidrug Transporter EmrD from Escherichia coli Descriptor: Multidrug resistance protein D Authors: Yin, Y, He, X, Szewczyk, P, Nguyen, T, Chang, G. Deposit date: 2006-03-22 Release date: 2006-05-16 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Structure of the multidrug transporter EmrD from Escherichia coli Science, 312, 2006
8RCS	Escherichia coli paused disome complex (Rotated disome interface class 1) Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ... Authors: Fluegel, T, Schacherl, M. Deposit date: 2023-12-07 Release date: 2024-03-06 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (4.46 Å) Cite: Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM. Nat Commun, 15, 2024
8RCT	Escherichia coli paused disome complex (Rotated disome interface class 2) Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ... Authors: Fluegel, T, Schacherl, M. Deposit date: 2023-12-07 Release date: 2024-03-06 Last modified: 2024-04-24 Method: ELECTRON MICROSCOPY (5.32 Å) Cite: Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM. Nat Commun, 15, 2024
1GDD	TERTIARY AND QUATERNARY STRUCTURAL CHANGES IN GIA1 INDUCED BY GTP HYDROLYSIS Descriptor: GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION Authors: Mixon, M.B, Sprang, S.R. Deposit date: 1995-07-25 Release date: 1995-11-27 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Tertiary and quaternary structural changes in Gi alpha 1 induced by GTP hydrolysis. Science, 270, 1995
1GIA	STRUCTURE OF ACTIVE CONFORMATIONS OF GIA1 AND THE MECHANISM OF GTP HYDROLYSIS Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, G PROTEIN GI ALPHA 1, MAGNESIUM ION Authors: Berghuis, A.M, Coleman, D.E, Sprang, S.R. Deposit date: 1994-07-20 Release date: 1994-09-30 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis. Science, 265, 1994
2YH3	The structure of BamB from E. coli Descriptor: LIPOPROTEIN YFGL Authors: Albrecht, R, Zeth, K. Deposit date: 2011-04-27 Release date: 2011-05-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Basis of Outer Membrane Protein Biogenesis in Bacteria. J.Biol.Chem., 286, 2011
3JYI	Structural and biochemical evidence that a TEM-1 {beta}-lactamase Asn170Gly active site mutant acts via substrate-assisted catalysis Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase TEM, PHOSPHATE ION Authors: Brown, N.G, Palzkill, T.G, Prasad, B.V.V, Shanker, S. Deposit date: 2009-09-21 Release date: 2009-10-06 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.703 Å) Cite: Structural and biochemical evidence that a TEM-1 beta-lactamase N170G active site mutant acts via substrate-assisted catalysis J.Biol.Chem., 284, 2009
6X5Q	Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluA1 Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor 1 Authors: Ozden, C, Stratton, M.M, Garman, S.C. Deposit date: 2020-05-26 Release date: 2020-12-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.14 Å) Cite: CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
8GYK	CryoEM structure of the RAD51_ADP filament Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 1, MAGNESIUM ION Authors: Miki, Y, Luo, S.C, Ho, M.C. Deposit date: 2022-09-22 Release date: 2023-08-30 Method: ELECTRON MICROSCOPY (3.14 Å) Cite: A RAD51-ADP double filament structure unveils the mechanism of filament dynamics in homologous recombination. Nat Commun, 14, 2023
1CYL	ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR SPECTROSCOPY Descriptor: INTERLEUKIN-4 Authors: Mueller, T, Sebald, W, Oschkinat, H. Deposit date: 1994-02-21 Release date: 1994-09-30 Last modified: 2022-02-16 Method: SOLUTION NMR Cite: Aspects of receptor binding and signalling of interleukin-4 investigated by site-directed mutagenesis and NMR spectroscopy. J.Mol.Biol., 237, 1994
7BM8	Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed with CTP-gamma-S Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Chromosome-partitioning protein ParB, MAGNESIUM ION Authors: Jalal, A.S, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Le, T.B.K. Deposit date: 2021-01-19 Release date: 2021-04-28 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.73 Å) Cite: A CTP-dependent gating mechanism enables ParB spreading on DNA. Elife, 10, 2021
1D3I	CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 14 (HRV14) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Descriptor: PROTEIN (INTERCELLULAR ADHESION MOLECULE-1), PROTEIN (RHINOVIRUS 14 COAT PROTEIN VP1), PROTEIN (RHINOVIRUS 14 COAT PROTEIN VP2), ... Authors: Bella, J, Rossmann, M.G. Deposit date: 1999-09-29 Release date: 2000-01-19 Last modified: 2024-04-17 Method: ELECTRON MICROSCOPY (26 Å) Cite: Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor. EMBO J., 18, 1999
4PST	Multiconformer model for Escherichia coli dihydrofolate reductase at 277 K Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. Deposit date: 2014-03-07 Release date: 2014-06-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
4PTJ	Ensemble model for Escherichia coli dihydrofolate reductase at 277K Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. Deposit date: 2014-03-10 Release date: 2014-05-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
2AYA	Solution Structure of the C-Terminal 14 kDa Domain of the tau subunit from Escherichia coli DNA Polymerase III Descriptor: DNA polymerase III subunit tau Authors: Jergic, S, Dixon, N.E, Otting, G, Su, X.C. Deposit date: 2005-09-07 Release date: 2006-11-14 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Solution structure of Domains IVa and V of the tau subunit of Escherichia coli DNA polymerase III and interaction with the alpha subunit. Nucleic Acids Res., 35, 2007
1D3E	CRYO-EM STRUCTURE OF HUMAN RHINOVIRUS 16 (HRV16) COMPLEXED WITH A TWO-DOMAIN FRAGMENT OF ITS CELLULAR RECEPTOR, INTERCELLULAR ADHESION MOLECULE-1 (D1D2-ICAM-1). IMPLICATIONS FOR VIRUS-RECEPTOR INTERACTIONS. ALPHA CARBONS ONLY Descriptor: PROTEIN (INTERCELLULAR ADHESION MOLECULE-1), PROTEIN (RHINOVIRUS 16 COAT PROTEIN VP1), PROTEIN (RHINOVIRUS 16 COAT PROTEIN VP2), ... Authors: Bella, J, Rossmann, M.G. Deposit date: 1999-09-29 Release date: 2000-01-19 Last modified: 2024-04-17 Method: ELECTRON MICROSCOPY (28 Å) Cite: Structural studies of two rhinovirus serotypes complexed with fragments of their cellular receptor. EMBO J., 18, 1999
6OQB	Co-crystal structure of Mcl1 with inhibitor 10 Descriptor: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 Authors: Huang, X. Deposit date: 2019-04-26 Release date: 2019-05-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
2GCC	SOLUTION STRUCTURE OF THE GCC-BOX BINDING DOMAIN, NMR, MINIMIZED MEAN STRUCTURE Descriptor: ATERF1 Authors: Allen, M.D, Yamasaki, K, Ohme-Takagi, M, Tateno, M, Suzuki, M. Deposit date: 1998-03-13 Release date: 1999-03-23 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: A novel mode of DNA recognition by a beta-sheet revealed by the solution structure of the GCC-box binding domain in complex with DNA. EMBO J., 17, 1998
1CSN	BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ... Authors: Xu, R.-M, Cheng, X. Deposit date: 1995-04-25 Release date: 1995-07-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of casein kinase-1, a phosphate-directed protein kinase. EMBO J., 14, 1995
2FN5	NMR Structure of the Neurabin PDZ domain (502-594) Descriptor: Neurabin-1 Authors: Dancheck, B, Peti, W. Deposit date: 2006-01-10 Release date: 2007-01-09 Last modified: 2024-05-08 Method: SOLUTION NMR Cite: Structural basis for spinophilin-neurabin receptor interaction. Biochemistry, 46, 2007
4PSS	Multiconformer model for Escherichia coli dihydrofolate reductase at 100K Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... Authors: Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. Deposit date: 2014-03-07 Release date: 2014-06-04 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (0.849 Å) Cite: Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014

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