5CZU
 
 | | Crystal structure of FeCat-Fn | | Descriptor: | CADMIUM ION, FE (III) ION, Ferritin light chain, ... | | Authors: | Abe, S, Nakajima, H, Kondo, M, Nakane, T, Nakao, T, Ueno, T, Watanabe, Y. | | Deposit date: | 2015-08-01 | | Release date: | 2015-11-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Construction of an enterobactin analogue with symmetrically arranged monomer subunits of ferritin
Chem.Commun.(Camb.), 51, 2015
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5CQ7
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with N,N-dimethylquinoxaline-6-carboxamide (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N,N-dimethylquinoxaline-6-carboxamide | | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-21 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with N,N-dimethylquinoxaline-6-carboxamide (SGC - Diamond I04-1 fragment screening)
To be published
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1KD7
 | | Crystal structure of an extracellular domain fragment of human BAFF | | Descriptor: | TUMOR NECROSIS FACTOR LIGAND SUPERFAMILY MEMBER 13B | | Authors: | Karpusas, M, Cachero, T.G, Qian, F, Boriack-Sjodin, A, Mullen, C, Strauch, K, Hsu, Y.-M, Kalled, S.L. | | Deposit date: | 2001-11-12 | | Release date: | 2002-11-12 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Extracellular Human BAFF, a TNF Family Member that Stimulates B Lymphocytes
J.Mol.Biol., 315, 2002
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3NHB
 | | Nucleotide Binding Domain of Human ABCB6 (ADP bound structure) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ... | | Authors: | Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W. | | Deposit date: | 2010-06-14 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
Acta Crystallogr.,Sect.D, 66, 2010
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6FN5
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4KDY
 | | Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site | | Descriptor: | CITRIC ACID, GLUTATHIONE, GLYCEROL, ... | | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-04-25 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, Target EFI-507175, with bound GSH in the active site
To be Published
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6FNE
 | | Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain | | Descriptor: | (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL | | Authors: | Nawrotek, A, Zeghouf, M, Cherfils, J. | | Deposit date: | 2018-02-03 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling.
Nat.Chem.Biol., 15, 2019
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1KEI
 | | Thermolysin (substrate-free) | | Descriptor: | CALCIUM ION, LYSINE, Thermolysin, ... | | Authors: | Senda, M, Senda, T, Kidokoro, S. | | Deposit date: | 2001-11-16 | | Release date: | 2002-11-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure analyses of thermolysin in complex with its inhibitors
To be Published
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5CS1
 | | The structure of the NK1 fragment of HGF/SF | | Descriptor: | Hepatocyte growth factor | | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | | Deposit date: | 2015-07-23 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
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6INQ
 | | RNA polymerase II elongation complex stalled at SHL(-1) of the nucleosome, with foreign DNA (+1 position) | | Descriptor: | DNA (198-MER), DNA (31-MER), DNA-directed RNA polymerase subunit, ... | | Authors: | Kujirai, T, Ehara, H, Fujino, Y, Shirouzu, M, Sekine, S, Kurumizaka, H. | | Deposit date: | 2018-10-26 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Structural basis of the nucleosome transition during RNA polymerase II passage.
Science, 362, 2018
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5D0C
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-08-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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5CSC
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1KF0
 | | Crystal Structure of Pig Muscle Phosphoglycerate Kinase Ternary Complex with AMP-PCP and 3PG | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Kovari, Z, Flachner, B, Naray-Szabo, G, Vas, M. | | Deposit date: | 2001-11-19 | | Release date: | 2002-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic and thiol-reactivity studies on the complex of pig muscle phosphoglycerate kinase with ATP analogues: correlation between nucleotide binding mode and helix flexibility.
Biochemistry, 41, 2002
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3N27
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1KFC
 | | CRYSTAL STRUCTURE OF ALPHAT183V MUTANT OF TRYPTOPHAN SYNTHASE FROM SALMONELLA TYPHIMURIUM With Indole Propanol Phosphate | | Descriptor: | INDOLE-3-PROPANOL PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Kulik, V, Weyand, M, Siedel, R, Niks, D, Arac, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2001-11-20 | | Release date: | 2003-01-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | On the Role of AlphaTHR183 in the Allosteric Regulation and Catalytic Mechanism of Tryptophan Synthase
J.Mol.Biol., 324, 2002
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6IRD
 | | Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein | | Authors: | Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.813 Å) | | Cite: | An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
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3N2Y
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5CU0
 | | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | | Descriptor: | 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-24 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
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4KFQ
 | | Crystal structure of the NMDA receptor GluN1 ligand binding domain in complex with 1-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one | | Descriptor: | 1-sulfanyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Steffensen, T.B, Tabrizi, F.M, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-04-27 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.
J.Biol.Chem., 288, 2013
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6FPQ
 | | Structure of S. pombe Mmi1 in complex with 7-mer RNA | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1 | | Authors: | Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. | | Deposit date: | 2018-02-11 | | Release date: | 2018-05-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding.
J. Biol. Chem., 293, 2018
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7YHN
 | | ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X. | | Deposit date: | 2022-07-14 | | Release date: | 2023-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022
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5CUP
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5CV3
 | | C. remanei PGL-1 Dimerization Domain - Hg | | Descriptor: | ETHYL MERCURY ION, Putative uncharacterized protein | | Authors: | Aoki, S.T, Bingman, C.A, Wickens, M, Kimble, J.E. | | Deposit date: | 2015-07-25 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.17014766 Å) | | Cite: | PGL germ granule assembly protein is a base-specific, single-stranded RNase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6I69
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6FRI
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