6RAF
| Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ... | Authors: | Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R. | Deposit date: | 2019-04-06 | Release date: | 2019-07-31 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Conformation space of a heterodimeric ABC exporter under turnover conditions. Nature, 571, 2019
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2NTH
| Structure of Spin-labeled T4 Lysozyme Mutant L118R1 | Descriptor: | Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L. | Deposit date: | 2006-11-07 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme. Protein Sci., 16, 2007
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7YDQ
| Structure of PfNT1(Y190A)-GFP in complex with GSK4 | Descriptor: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | Authors: | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | Deposit date: | 2022-07-04 | Release date: | 2023-04-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.04 Å) | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1. Nat Commun, 14, 2023
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2NY7
| HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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6QYK
| Structure of MBP-Mcl-1 in complex with compound 7a | Descriptor: | (2~{R})-2-[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]oxypropanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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3KW1
| Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan | Descriptor: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | Deposit date: | 2009-11-30 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. J.Biol.Chem., 285, 2010
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6QYY
| The crystal structure of head fiber gp8.5 N base in bacteriophage phi29 | Descriptor: | Capsid fiber protein, SULFATE ION | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | Deposit date: | 2019-03-10 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural assembly of the tailed bacteriophage φ29. Nat Commun, 10, 2019
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6QZ6
| Structure of Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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3KZO
| Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with carbamyl phosphate and N-acetyl-L-norvaline | Descriptor: | GLYCEROL, N-ACETYL-L-NORVALINE, N-acetylornithine carbamoyltransferase, ... | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | Deposit date: | 2009-12-08 | Release date: | 2010-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis. Proteins, 64, 2006
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4BOH
| Madanins (MEROPS I53) are cleaved by thrombin and factor Xa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ... | Authors: | Figueiredo, A.C, deSanctis, D, Pereira, P.J.B. | Deposit date: | 2013-05-20 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | The Tick-Derived Anticoagulant Madanin is Processed by Thrombin and Factor Xa. Plos One, 8, 2013
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3KX4
| Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W. | Deposit date: | 2009-12-02 | Release date: | 2010-05-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3. Biochem.J., 427, 2010
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6QSL
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2O18
| Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559 | Descriptor: | CALCIUM ION, Thiamine biosynthesis lipoprotein apbE | Authors: | Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-11-28 | Release date: | 2006-12-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a Thiamine biosynthesis lipoprotein apbE To be Published
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8QEX
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3L0K
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6QXV
| Pink beam serial crystallography: Proteinase K, 1 us exposure, 1585 patterns merged (2 chips) | Descriptor: | CALCIUM ION, CHLORIDE ION, Proteinase K, ... | Authors: | Tolstikova, A, Oberthuer, D, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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6QUE
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6QYN
| Structure of MBP-Mcl-1 in complex with compound 10d | Descriptor: | (2~{R})-2-[5-(3-chloranyl-2-methyl-4-oxidanyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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3KZC
| Crystal structure of N-acetyl-L-ornithine transcarbamylase | Descriptor: | N-acetylornithine carbamoyltransferase, SULFATE ION | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | Deposit date: | 2009-12-08 | Release date: | 2010-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of N-acetylornithine transcarbamylase from Xanthomonas campestris: a novel enzyme in a new arginine biosynthetic pathway found in several eubacteria. J.Biol.Chem., 280, 2005
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3KZM
| Crystal structure of N-acetyl-L-ornithine transcarbamylase complexed with carbamyl phosphate | Descriptor: | GLYCEROL, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | Authors: | Shi, D, Yu, X, Allewell, N.M, Tuchman, M. | Deposit date: | 2009-12-08 | Release date: | 2010-03-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of N-acetylornithine transcarbamoylase from Xanthomonas campestris complexed with substrates and substrate analogs imply mechanisms for substrate binding and catalysis. Proteins, 64, 2006
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6QUX
| Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15 | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | Deposit date: | 2019-02-28 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | KRAS Binders Hidden in Nature. Chemistry, 25, 2019
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2O6G
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8QNO
| Crystal structure of S-adenosyl-L-homocysteine hydrolase treated at 368 K from Pyrococcus furiosus in complex with inosine | Descriptor: | Adenosylhomocysteinase, INOSINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Saleem-Batcha, R, Koeppl, L.H, Popadic, D, Andexer, J.N. | Deposit date: | 2023-09-27 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.033 Å) | Cite: | Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases. Commun Biol, 7, 2024
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4DMW
| Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese | Descriptor: | MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Scarselli, M, Maione, D, Martinelli, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release. Febs J., 279, 2012
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6QMN
| Crystal structure of a Ribonuclease A-Onconase chimera | Descriptor: | PHOSPHATE ION, Ribonuclease pancreatic | Authors: | Esposito, L, Vitagliano, L, Ruggiero, A, Picone, D, Leone, S, Donnarumma, F. | Deposit date: | 2019-02-07 | Release date: | 2019-05-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera. Int.J.Biol.Macromol., 133, 2019
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