7CX8
| Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine | Descriptor: | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-09-01 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution To Be Published
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7CKN
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5JK0
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7COO
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7CON
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7CP8
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7E6X
| Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 4 ms structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ... | Authors: | Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O. | Deposit date: | 2021-02-24 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin. Elife, 10, 2021
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7E71
| Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 1 ms structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ... | Authors: | Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O. | Deposit date: | 2021-02-24 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin. Elife, 10, 2021
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7E70
| Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 250 microsecond structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ... | Authors: | Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O. | Deposit date: | 2021-02-24 | Release date: | 2021-04-07 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin. Elife, 10, 2021
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7DVL
| Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Subtype A3 | Descriptor: | Bont/A3, ZINC ION | Authors: | Wu, Y, Leka, O, Kammerer, R, Li, X. | Deposit date: | 2021-01-13 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Crystal structure of the catalytic domain of botulinum neurotoxin subtype A3. J.Biol.Chem., 296, 2021
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3DL4
| Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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5IEA
| TRIM5 B-box2 and coiled-coil chimera | Descriptor: | Tripartite motif-containing protein 5, Serine--tRNA ligase Chimera, ZINC ION | Authors: | Wagner, J.M, Doss, G, Pornillos, O. | Deposit date: | 2016-02-25 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.258 Å) | Cite: | Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha. Elife, 5, 2016
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7DVO
| Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y. | Deposit date: | 2021-01-14 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography. Proc.Natl.Acad.Sci.USA, 118, 2021
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3DP5
| Crystal structure of Geobacter sulfurreducens OmcF with N-terminal Strep-tag II | Descriptor: | Cytochrome c family protein, HEME C, SULFATE ION | Authors: | Lukat, P, Hoffmann, M, Einsle, O. | Deposit date: | 2008-07-07 | Release date: | 2008-09-02 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal packing of the c(6)-type cytochrome OmcF from Geobacter sulfurreducens is mediated by an N-terminal Strep-tag II ACTA CRYSTALLOGR.,SECT.D, 64, 2008
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5KJS
| Crystal Structure of Arabidopsis thaliana HCT | Descriptor: | Shikimate O-hydroxycinnamoyltransferase | Authors: | Levsh, O, Chiang, Y.C, Tung, C, Noel, J.P, Wang, Y, Weng, J.K. | Deposit date: | 2016-06-20 | Release date: | 2016-11-02 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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4X35
| A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Vartiainen, I, Duman, R, Panneerselvam, S, Stuebe, N, Lorbeer, O, Warmer, M, Sutton, G, Stuart, D.I, Weckert, E, David, C, Wagner, A, Meents, A. | Deposit date: | 2014-11-27 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A micro-patterned silicon chip as sample holder for macromolecular crystallography experiments with minimal background scattering. Sci Rep, 5, 2015
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5KRL
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2-chloro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol | Descriptor: | (1~{S},3~{a}~{R},7~{a}~{S})-5-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,7,7~{a}-hexahydro-1~{H}-inden-1-ol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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4X50
| Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside | Descriptor: | Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-04 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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5KNU
| Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with 9-[N,N-(Bis-3-phosphonopropyl)aminomethyl]-9-deazahypoxanthine | Descriptor: | 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methyl-(3-phosphonopropyl)amino]propylphosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | Authors: | Eng, W.S, Keough, D.T, Baszczynski, O, Hockova, D, Janeba, Z. | Deposit date: | 2016-06-28 | Release date: | 2017-07-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.808 Å) | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase Chemistryselect, 1, 2016
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4X5Q
| Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | Descriptor: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | Authors: | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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7B7A
| ENDO-POLYGALACTURONASE FROM ARABIDOPSIS THALIANA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Safran, J, Tabi, W, Habrylo, O, Bouckaert, J, Lefebvre, V, Senechal, F, Pelloux, J. | Deposit date: | 2020-12-10 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Plant polygalacturonase structures specify enzyme dynamics and processivities to fine-tune cell wall pectins. Plant Cell, 2023
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7B8B
| ADPG2 - ENDOPOLYGALACTURONASE FROM ARABIDOPSIS THALIANA | Descriptor: | PHOSPHATE ION, Polygalacturonase ADPG2 | Authors: | Safran, J, Tabi, W, Habrylo, O, Bouckaert, J, Lefebvre, V, Senechal, F, Pelloux, J. | Deposit date: | 2020-12-12 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Plant polygalacturonase structures specify enzyme dynamics and processivities to fine-tune cell wall pectins. Plant Cell, 2023
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4X8C
| Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | Authors: | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | Deposit date: | 2014-12-10 | Release date: | 2015-01-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation. Nat.Chem.Biol., 11, 2015
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5KJV
| Crystal structure of Coleus blumei HCT | Descriptor: | Hydroxycinnamoyl transferase | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | Deposit date: | 2016-06-20 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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3H35
| Structure of the uncharacterized protein ABO_0056 from the hydrocarbon-degrading marine bacterium Alcanivorax borkumensis SK2. | Descriptor: | 1,2-ETHANEDIOL, S,R MESO-TARTARIC ACID, uncharacterized protein ABO_0056 | Authors: | Cuff, M.E, Evdokimova, E, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-04-15 | Release date: | 2009-05-12 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure of the uncharacterized protein ABO_0056 from the hydrocarbon-degrading marine bacterium Alcanivorax borkumensis SK2. TO BE PUBLISHED
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