7VCG
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6TM0
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![BU of 6tm0 by Molmil](/molmil-images/mine/6tm0) | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | Deposit date: | 2019-12-03 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun, 11, 2020
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6A56
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![BU of 6a56 by Molmil](/molmil-images/mine/6a56) | AJLec from the Sea Anemone Anthopleura japonica | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AJLec, CALCIUM ION, ... | Authors: | Unno, H, Hatakeyama, T. | Deposit date: | 2018-06-22 | Release date: | 2018-07-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Lectin AJLec from the Sea Anemone Anthopleura japonica. Sci Rep, 8, 2018
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6RC9
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6RJ1
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6TLZ
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![BU of 6tlz by Molmil](/molmil-images/mine/6tlz) | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | Deposit date: | 2019-12-03 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun, 11, 2020
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7BWM
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7EA6
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![BU of 7ea6 by Molmil](/molmil-images/mine/7ea6) | Crystal structure of TCR-017 ectodomain | Descriptor: | T cell receptor 017 alpha chain, T cell receptor 017 beta chain | Authors: | Nagae, M, Yamasaki, S. | Deposit date: | 2021-03-06 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18000245 Å) | Cite: | Identification of conserved SARS-CoV-2 spike epitopes that expand public cTfh clonotypes in mild COVID-19 patients. J.Exp.Med., 218, 2021
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7YK9
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![BU of 7yk9 by Molmil](/molmil-images/mine/7yk9) | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | Authors: | Unno, M, Igarashi, K. | Deposit date: | 2022-07-22 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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7YKB
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![BU of 7ykb by Molmil](/molmil-images/mine/7ykb) | Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | Authors: | Unno, M, Nanasawa, R. | Deposit date: | 2022-07-22 | Release date: | 2023-01-25 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states. J.Biol.Chem., 299, 2022
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6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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7NF8
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![BU of 7nf8 by Molmil](/molmil-images/mine/7nf8) | Ovine (b0,+AT-rBAT)2 hetero-tetramer, asymmetric unit, rigid-body fitted | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lee, Y, Kuehlbrandt, W. | Deposit date: | 2021-02-05 | Release date: | 2022-01-19 | Last modified: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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7NF7
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![BU of 7nf7 by Molmil](/molmil-images/mine/7nf7) | Ovine rBAT ectodomain homodimer, asymmetric unit | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lee, Y, Kuehlbrandt, W. | Deposit date: | 2021-02-05 | Release date: | 2022-01-19 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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7NF6
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![BU of 7nf6 by Molmil](/molmil-images/mine/7nf6) | Ovine b0,+AT-rBAT heterodimer | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lee, Y, Kuehlbrandt, W. | Deposit date: | 2021-02-05 | Release date: | 2022-01-19 | Last modified: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Ca 2+ -mediated higher-order assembly of heterodimers in amino acid transport system b 0,+ biogenesis and cystinuria. Nat Commun, 13, 2022
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1V3X
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![BU of 1v3x by Molmil](/molmil-images/mine/1v3x) | Factor Xa in complex with the inhibitor 1-[6-methyl-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl] carbonyl-2-carbamoyl-4-(6-chloronaphth-2-ylsulphonyl)piperazine | Descriptor: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ INE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | Authors: | Suzuki, M. | Deposit date: | 2003-11-07 | Release date: | 2004-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element J.Med.Chem., 47, 2004
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2EI8
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![BU of 2ei8 by Molmil](/molmil-images/mine/2ei8) | FACTOR XA IN COMPLEX WITH THE INHIBITOR (1S,2R,4S)-N1-[(5-chloroindol-2-yl)carbonyl]-4-(N,N-dimethylcarbamoyl)-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine | Descriptor: | CALCIUM ION, Coagulation factor X, heavy chain, ... | Authors: | Suzuki, M. | Deposit date: | 2007-03-12 | Release date: | 2008-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of N-{(1R,2S,5S)-2-{[(5-Chloroindol-2-yl)carbonyl]amino}-5-[(dimethylamino)carbonyl]cyclohexyl}-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: A Novel, Potent and Orally Active Direct Inhibitor of Factor Xa To be Published
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6OHD
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![BU of 6ohd by Molmil](/molmil-images/mine/6ohd) | P38 in complex with T-3220137 | Descriptor: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Saikatendu, K. | Deposit date: | 2019-04-05 | Release date: | 2019-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
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6M95
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![BU of 6m95 by Molmil](/molmil-images/mine/6m95) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | Descriptor: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-22 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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1IDZ
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1IDY
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8HHV
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![BU of 8hhv by Molmil](/molmil-images/mine/8hhv) | endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum | Descriptor: | CALCIUM ION, GLYCEROL, SODIUM ION, ... | Authors: | Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2022-11-17 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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8IC1
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![BU of 8ic1 by Molmil](/molmil-images/mine/8ic1) | endo-alpha-D-arabinanase EndoMA1 D51N mutant from Microbacterium arabinogalactanolyticum in complex with arabinooligosaccharides | Descriptor: | (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Li, J, Nakashima, C, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-10 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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8IC7
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![BU of 8ic7 by Molmil](/molmil-images/mine/8ic7) | exo-beta-D-arabinofuranosidase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with beta-D-arabinofuranose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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8IC6
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![BU of 8ic6 by Molmil](/molmil-images/mine/8ic6) | exo-beta-D-arabinanase ExoMA2 from Microbacterium arabinogalactanolyticum in complex with Tris | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Fukushima, R, Kashima, T, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-10 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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8IC8
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![BU of 8ic8 by Molmil](/molmil-images/mine/8ic8) | Exo-alpha-D-arabinofuranosidase from Microbacterium arabinogalactanolyticum | Descriptor: | Exo-alpha-D-arabinofuranosidase, PHOSPHATE ION | Authors: | Kashima, T, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S. | Deposit date: | 2023-02-11 | Release date: | 2023-08-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria. Nat Commun, 14, 2023
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