3DUQ
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3DC3
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![BU of 3dc3 by Molmil](/molmil-images/mine/3dc3) | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2008-06-03 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DZ8
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![BU of 3dz8 by Molmil](/molmil-images/mine/3dz8) | Crystal structure of human Rab3B GTPase bound with GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-3B, UNKNOWN ATOM OR ION | Authors: | Shen, Y, Tong, Y, Sukumar, D, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Wilkstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-29 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human Rab3B GTPase bound with GDP To be Published
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7W47
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![BU of 7w47 by Molmil](/molmil-images/mine/7w47) | Crystal structure of the gastric proton pump complexed with tegoprazan | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Potassium-transporting ATPase alpha chain 1, ... | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | Deposit date: | 2021-11-26 | Release date: | 2022-01-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
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3E5O
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![BU of 3e5o by Molmil](/molmil-images/mine/3e5o) | Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser off | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-08-14 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2INP
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![BU of 2inp by Molmil](/molmil-images/mine/2inp) | Structure of the Phenol Hydroxylase-Regulatory Protein Complex | Descriptor: | FE (III) ION, Phenol hydroxylase component phL, Phenol hydroxylase component phM, ... | Authors: | Sazinsky, M.S, Dunten, P.W, McCormick, M.S, Lippard, S.J. | Deposit date: | 2006-10-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Structure of a Hydroxylase-Regulatory Protein Complex from a Hydrocarbon-Oxidizing Multicomponent Monooxygenase, Pseudomonas sp. OX1 Phenol Hydroxylase. Biochemistry, 45, 2006
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3E4N
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![BU of 3e4n by Molmil](/molmil-images/mine/3e4n) | Carbonmonoxy Sperm Whale Myoglobin at 40 K: Laser off | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-08-12 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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7WAB
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![BU of 7wab by Molmil](/molmil-images/mine/7wab) | Crystal structure of the prolyl endoprotease, PEP, from Aspergillus niger | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPASS (Complex proteins associated with Set1p) component shg1 family protein, ... | Authors: | Miyazono, K, Kubota, K, Takahashi, K, Tanokura, M. | Deposit date: | 2021-12-14 | Release date: | 2022-01-12 | Last modified: | 2022-02-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure and substrate recognition mechanism of the prolyl endoprotease PEP from Aspergillus niger. Biochem.Biophys.Res.Commun., 591, 2022
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3E8P
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![BU of 3e8p by Molmil](/molmil-images/mine/3e8p) | Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246. | Descriptor: | uncharacterized protein | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Janjua, H, Ciccosanti, C, Foote, E.L, Wang, H, Xiao, R, Nair, R, Everett, J, Acton, T.B, Rost, B, Tong, S.N, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-08-20 | Release date: | 2008-09-02 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246. To be Published
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3EID
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![BU of 3eid by Molmil](/molmil-images/mine/3eid) | CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor | Descriptor: | (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, Cell division protein kinase 2, Cyclin-A2 | Authors: | Steven, K, Reno, M, Alberti, J, Price, D, Kane-Carson, L, Knick, V, Shewchuk, L, Hassell, A, Veal, J, Peel, M. | Deposit date: | 2008-09-15 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3E9N
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![BU of 3e9n by Molmil](/molmil-images/mine/3e9n) | Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum | Descriptor: | PUTATIVE SHORT-CHAIN DEHYDROGENASE/REDUCTASE | Authors: | Bonanno, J.B, Gilmore, M, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2008-08-22 | Release date: | 2008-09-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a putative short-chain dehydrogenase/reductase from Corynebacterium glutamicum To be Published
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3EIV
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3ECZ
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![BU of 3ecz by Molmil](/molmil-images/mine/3ecz) | Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [30 min] | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-09-02 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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3EDB
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![BU of 3edb by Molmil](/molmil-images/mine/3edb) | Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [150 min] | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-09-03 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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7WAM
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![BU of 7wam by Molmil](/molmil-images/mine/7wam) | Crystal structure of HaloTag complexed with VL1 | Descriptor: | 3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells. Chem Sci, 13, 2022
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7WH4
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3EF3
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![BU of 3ef3 by Molmil](/molmil-images/mine/3ef3) | cut-1a; NCN-Pt-Pincer-Cutinase Hybrid | Descriptor: | (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+), Cutinase-1 | Authors: | Rutten, L, Mannie, J.P.B.A, Lutz, M, Gros, P. | Deposit date: | 2008-09-08 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Solid-state structural characterization of cutinase-ECE-pincer-metal hybrids Chemistry, 15, 2009
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7WAN
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![BU of 7wan by Molmil](/molmil-images/mine/7wan) | Crystal structure of HaloTag complexed with UL2 | Descriptor: | (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H. | Deposit date: | 2021-12-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.284 Å) | Cite: | A chemical tool for blue light-inducible proximity photo-crosslinking in live cells. Chem Sci, 13, 2022
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3ERJ
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![BU of 3erj by Molmil](/molmil-images/mine/3erj) | Crystal structure of the peptidyl-tRNA hydrolase AF2095 from Archaeglobus fulgidis. Northeast Structural Genomics Consortium target GR4 | Descriptor: | Peptidyl-tRNA hydrolase | Authors: | Forouhar, F, Su, M, Seetharaman, J, Conover, K, Janjua, H, Xiao, R, Cunningham, K, Ma, L.-C, Cooper, B, Baran, M.C, Liu, J, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-02 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the peptidyl-tRNA hydrolase AF2095 from Archaeglobus fulgidis. Northeast Structural Genomics Consortium target GR4 To be Published
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3EPX
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![BU of 3epx by Molmil](/molmil-images/mine/3epx) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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3E5I
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![BU of 3e5i by Molmil](/molmil-images/mine/3e5i) | Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser off | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | Deposit date: | 2008-08-14 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
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7W4A
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![BU of 7w4a by Molmil](/molmil-images/mine/7w4a) | Cryo-EM structure of the gastric proton pump complexed with revaprazan | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Abe, K, Tanaka, S, Morita, M, Yamagishi, T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-02 | Last modified: | 2022-07-20 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
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7W7J
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![BU of 7w7j by Molmil](/molmil-images/mine/7w7j) | Crystal structure of IrCp* immobilized apo-R52H-rHLFr (25 equiv) | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | Authors: | Taher, M, Maity, B, Nakane, T, Abe, S, Mazumdar, S. | Deposit date: | 2021-12-05 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7WF5
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![BU of 7wf5 by Molmil](/molmil-images/mine/7wf5) | c-Src in complex with ponatinib | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y. | Deposit date: | 2021-12-26 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural study of ponatinib in inhibiting SRC kinase. Biochem.Biophys.Res.Commun., 598, 2022
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7W6K
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![BU of 7w6k by Molmil](/molmil-images/mine/7w6k) | Cryo-EM structure of GmALMT12/QUAC1 anion channel | Descriptor: | GmALMT12/QUAC1 | Authors: | Qin, L, Tang, L.H, Xu, J.S, Zhang, X.H, Zhu, Y, Sun, F, Su, M, Zhai, Y.J, Chen, Y.H. | Deposit date: | 2021-12-01 | Release date: | 2022-03-16 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure and electrophysiological characterization of ALMT from Glycine max reveal a previously uncharacterized class of anion channels. Sci Adv, 8, 2022
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