5XTL
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![BU of 5xtl by Molmil](/molmil-images/mine/5xtl) | Crystal Structure of Transketolase in complex with aminopyrimidine and cysteine sulfonic acid adduct from Pichia Stipitis | Descriptor: | 2-methylpyrimidin-4-amine, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-20 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
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1WXZ
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![BU of 1wxz by Molmil](/molmil-images/mine/1wxz) | Crystal structure of adenosine deaminase ligated with a potent inhibitor | Descriptor: | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE, Adenosine deaminase, ZINC ION | Authors: | Kinoshita, T. | Deposit date: | 2005-02-02 | Release date: | 2005-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism J.Med.Chem., 48, 2005
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1R24
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![BU of 1r24 by Molmil](/molmil-images/mine/1r24) | FAB FROM MURINE IGG3 KAPPA | Descriptor: | PROTEIN (IGG3-KAPPA ANTIBODY (HEAVY CHAIN)), PROTEIN (IGG3-KAPPA ANTIBODY (LIGHT CHAIN)) | Authors: | Evans, S.V. | Deposit date: | 1998-11-05 | Release date: | 1999-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The role of homophilic binding in anti-tumor antibody R24 recognition of molecular surfaces. Demonstration of an intermolecular beta-sheet interaction between vh domains. J.Biol.Chem., 274, 1999
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1WIQ
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![BU of 1wiq by Molmil](/molmil-images/mine/1wiq) | |
5Y7K
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![BU of 5y7k by Molmil](/molmil-images/mine/5y7k) | Crystal structure of human DPP4 in complex with inhibitor1 | Descriptor: | (R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazine-2-one, Dipeptidyl peptidase 4 | Authors: | Lee, H.K, Kim, E.E. | Deposit date: | 2017-08-17 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.512 Å) | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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5KKJ
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![BU of 5kkj by Molmil](/molmil-images/mine/5kkj) | 2.0-Angstrom In situ Mylar structure of hen egg-white lysozyme (HEWL) at 293 K | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Broecker, J, Ernst, O.P. | Deposit date: | 2016-06-21 | Release date: | 2017-02-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals. Cryst Growth Des, 16, 2016
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5KPV
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![BU of 5kpv by Molmil](/molmil-images/mine/5kpv) | Structure of RelA bound to ribosome in presence of A/R tRNA (Structure II) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A. | Deposit date: | 2016-07-05 | Release date: | 2016-09-28 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Ribosome•RelA structures reveal the mechanism of stringent response activation. Elife, 5, 2016
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5KN2
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![BU of 5kn2 by Molmil](/molmil-images/mine/5kn2) | Native bovine skeletal calsequestrin, high-Ca2+ form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Calsequestrin | Authors: | Lewis, K.M, Byrd, S.S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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5Y5M
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![BU of 5y5m by Molmil](/molmil-images/mine/5y5m) | SFX structure of cytochrome P450nor: a complete dark data without pump laser (resting state) | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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1AYI
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![BU of 1ayi by Molmil](/molmil-images/mine/1ayi) | COLICIN E7 IMMUNITY PROTEIN IM7 | Descriptor: | COLICIN E IMMUNITY PROTEIN 7 | Authors: | Dennis, C.A, Pauptit, R.A, Wallis, R, James, R, Moore, G.R, Kleanthous, C. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural comparison of the colicin immunity proteins Im7 and Im9 gives new insights into the molecular determinants of immunity-protein specificity. Biochem.J., 333 ( Pt 1), 1998
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6AF5
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![BU of 6af5 by Molmil](/molmil-images/mine/6af5) | DJ-1 after backsoaking | Descriptor: | CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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6AFG
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![BU of 6afg by Molmil](/molmil-images/mine/6afg) | DJ-1 with compound 9 | Descriptor: | 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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5Y7J
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![BU of 5y7j by Molmil](/molmil-images/mine/5y7j) | Crystal structure of human DPP4 in complex with inhibitor2 | Descriptor: | (S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butoxymethyl)piperazin-2-one, Dipeptidyl peptidase 4 | Authors: | Lee, H.K, Kim, E.E. | Deposit date: | 2017-08-17 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.521 Å) | Cite: | Unique binding mode of Evogliptin with human dipeptidyl peptidase IV. Biochem.Biophys.Res.Commun., 494, 2017
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6A3D
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![BU of 6a3d by Molmil](/molmil-images/mine/6a3d) | The crystal structure of Mandelate oxidase Y128F with 4-Br-2-hydroxy-methylphenylacetate | Descriptor: | 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase | Authors: | Li, T.L, Lin, K.H. | Deposit date: | 2018-06-15 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity. Protein Sci., 29, 2020
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2C6K
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![BU of 2c6k by Molmil](/molmil-images/mine/2c6k) | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | Descriptor: | 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-10 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett., 16, 2006
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5Y5L
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![BU of 5y5l by Molmil](/molmil-images/mine/5y5l) | Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state) | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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2BKA
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![BU of 2bka by Molmil](/molmil-images/mine/2bka) | CC3(TIP30)Crystal Structure | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K. | Deposit date: | 2005-02-14 | Release date: | 2005-02-21 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor J.Biol.Chem., 280, 2005
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6A82
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![BU of 6a82 by Molmil](/molmil-images/mine/6a82) | |
5LAC
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![BU of 5lac by Molmil](/molmil-images/mine/5lac) | |
5KR1
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![BU of 5kr1 by Molmil](/molmil-images/mine/5kr1) | Protease PR5-DRV | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | Deposit date: | 2016-07-06 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution. J.Biol.Chem., 291, 2016
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7NAD
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![BU of 7nad by Molmil](/molmil-images/mine/7nad) | State E2 nucleolar 60S ribosomal biogenesis intermediate - Spb4 local refinement model | Descriptor: | 25S rRNA, 5.8S rRNA, 60S ribosomal protein L17-A, ... | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | Deposit date: | 2021-06-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4. Nat.Struct.Mol.Biol., 29, 2022
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6H4N
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![BU of 6h4n by Molmil](/molmil-images/mine/6h4n) | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1 - 70S Hibernating E. coli Ribosome | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | Authors: | Beckert, B, Turk, M, Czech, A, Berninghausen, O, Beckmann, R, Ignatova, Z, Plitzko, J, Wilson, N.D. | Deposit date: | 2018-07-22 | Release date: | 2018-09-05 | Last modified: | 2018-10-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of a hibernating 100S ribosome reveals an inactive conformation of the ribosomal protein S1. Nat Microbiol, 3, 2018
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7NAC
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![BU of 7nac by Molmil](/molmil-images/mine/7nac) | State E2 nucleolar 60S ribosomal biogenesis intermediate - Composite model | Descriptor: | 25S rRNA, 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ... | Authors: | Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P. | Deposit date: | 2021-06-21 | Release date: | 2022-11-09 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Sequence-specific remodeling of a topologically complex RNP substrate by Spb4. Nat.Struct.Mol.Biol., 29, 2022
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2BGN
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![BU of 2bgn by Molmil](/molmil-images/mine/2bgn) | HIV-1 Tat protein derived N-terminal nonapeptide Trp2-Tat(1-9) bound to the active site of Dipeptidyl peptidase IV (CD26) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Weihofen, W.A, Liu, J, Reutter, W, Saenger, W, Fan, H. | Deposit date: | 2005-01-03 | Release date: | 2005-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal Structures of HIV-1 Tat-Derived Nonapeptides Tat-(1-9) and Trp2-Tat-(1-9) Bound to the Active Site of Dipeptidyl-Peptidase Iv (Cd26) J.Biol.Chem., 280, 2005
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1RZX
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![BU of 1rzx by Molmil](/molmil-images/mine/1rzx) | Crystal Structure of a Par-6 PDZ-peptide Complex | Descriptor: | Acetylated VKESLV Peptide, CG5884-PA | Authors: | Peterson, F.C, Penkert, R.R, Volkman, F.B, Prehoda, K.E. | Deposit date: | 2003-12-29 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cdc42 regulates the Par-6 PDZ domain through an allosteric CRIB-PDZ transition. Mol.Cell, 13, 2004
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