1RCK
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1RWJ
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![BU of 1rwj by Molmil](/molmil-images/mine/1rwj) | c7-type three-heme cytochrome domain | Descriptor: | Cytochrome c family protein, HEME C | Authors: | Pokkuluri, P.R, Londer, Y.Y, Duke, N.E.C, Erickson, J, Pessanha, M, Salgueiro, C.A, Schiffer, M. | Deposit date: | 2003-12-16 | Release date: | 2004-08-03 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a novel c7-type three-heme cytochrome domain from a multidomain cytochrome c polymer. Protein Sci., 13, 2004
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1RFZ
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![BU of 1rfz by Molmil](/molmil-images/mine/1rfz) | Structure of Protein of Unknown Function from Bacillus stearothermophilus | Descriptor: | Hypothetical protein APC35681, SULFATE ION | Authors: | Kim, Y, Wu, R, Cuff, M.E, Quartey, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-11-10 | Release date: | 2004-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of hypothetical protein APC35681 from Bacillus stearothermophilus To be Published
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1R5L
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![BU of 1r5l by Molmil](/molmil-images/mine/1r5l) | Crystal Structure of Human Alpha-Tocopherol Transfer Protein Bound to its Ligand | Descriptor: | (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL, PROTEIN (Alpha-tocopherol transfer protein) | Authors: | Min, K.C, Kovall, R.A, Hendrickson, W.A. | Deposit date: | 2003-10-10 | Release date: | 2003-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human alpha-tocopherol transfer protein bound to its ligand: Implications for ataxia with vitamin E deficiency Proc.Natl.Acad.Sci.USA, 100, 2003
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1R5Q
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8EPH
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![BU of 8eph by Molmil](/molmil-images/mine/8eph) | Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA | Descriptor: | CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ... | Authors: | Kolyadko, V.N, Krishnaswamy, S. | Deposit date: | 2022-10-05 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa. Proc.Natl.Acad.Sci.USA, 121, 2024
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9EYR
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![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2024-04-09 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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9BB7
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9BFM
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![BU of 9bfm by Molmil](/molmil-images/mine/9bfm) | Cryo-EM co-structure of AcrB with the EPM35 efflux pump inhibitor | Descriptor: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8YT5
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![BU of 8yt5 by Molmil](/molmil-images/mine/8yt5) | SP1746 treated with EDTA, in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, bis(5'-nucleosyl)-tetraphosphatase (symmetrical) | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2024-03-25 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 2024
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9FEF
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![BU of 9fef by Molmil](/molmil-images/mine/9fef) | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex | Descriptor: | Peroxisome targeting signal 1 receptor, malate dehydrogenase | Authors: | Lipinski, O, Sonani, R.R, Blat, A, Jemiola-Rzeminska, M, Patel, S.N, Sood, T, Dubin, G. | Deposit date: | 2024-05-19 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Cryo-EM structure of Trypanosoma cruzi (MDH)4-PEX5 complex To Be Published
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8Z6G
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6DBW
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![BU of 6dbw by Molmil](/molmil-images/mine/6dbw) | Cryo-EM structure of RAG in complex with 12-RSS substrate DNA | Descriptor: | CALCIUM ION, Forward strand of 12-RSS substrate DNA, Recombination activating gene 1 - MBP chimera, ... | Authors: | Wu, H, Liao, M, Ru, H, Mi, W. | Deposit date: | 2018-05-03 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | DNA melting initiates the RAG catalytic pathway. Nat. Struct. Mol. Biol., 25, 2018
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9F8X
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8Y2H
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9BRS
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![BU of 9brs by Molmil](/molmil-images/mine/9brs) | Intact V-ATPase State 2 in synaptophysin knock-out isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 631, 2024
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9BLG
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![BU of 9blg by Molmil](/molmil-images/mine/9blg) | Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892 | Descriptor: | (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Bester, S.M, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-04-30 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy. Cancer Discov, 13, 2023
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8YU9
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![BU of 8yu9 by Molmil](/molmil-images/mine/8yu9) | Tubulin-RB3-TTL in complex with compound SI10 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ... | Authors: | Wu, C.Y, Wang, Y.X. | Deposit date: | 2024-03-27 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | The crystal structure of tubulin-RB3-TTL in complex with compound AB10 To Be Published
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8YR2
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![BU of 8yr2 by Molmil](/molmil-images/mine/8yr2) | Structure of NET-Nisoxetine in outward-open state | Descriptor: | CHLORIDE ION, CHOLESTEROL, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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9IJ6
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![BU of 9ij6 by Molmil](/molmil-images/mine/9ij6) | Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution. | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, ... | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-06-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution. To Be Published
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9BFH
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![BU of 9bfh by Molmil](/molmil-images/mine/9bfh) | Cryo-EM co-structure of AcrB with the CU032 efflux pump inhibitor | Descriptor: | (2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3,4-dichlorophenoxy)propan-2-ol, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-17 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8XGK
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![BU of 8xgk by Molmil](/molmil-images/mine/8xgk) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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6DCM
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9BBI
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![BU of 9bbi by Molmil](/molmil-images/mine/9bbi) | Co-crystal structure of human DDB1 bound to fragment UB028669 | Descriptor: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
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8XGV
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![BU of 8xgv by Molmil](/molmil-images/mine/8xgv) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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