6N5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n5h by Molmil](/molmil-images/mine/6n5h) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | 分子名称: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | 著者 | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-21 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.717 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors Int. J. Biol. Macromol., 129, 2019
|
|
6FC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fc8 by Molmil](/molmil-images/mine/6fc8) | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | 分子名称: | 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Read, J.A, Breed, J. | 登録日 | 2017-12-20 | 公開日 | 2018-01-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
|
|
6FCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fck by Molmil](/molmil-images/mine/6fck) | CHK1 KINASE IN COMPLEX WITH COMPOUND 13 | 分子名称: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Read, J.A, Breed, J. | 登録日 | 2017-12-20 | 公開日 | 2018-01-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Adventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors. J. Med. Chem., 61, 2018
|
|
6FCR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fcr by Molmil](/molmil-images/mine/6fcr) | The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMtetrapeptide-NAG-anhNAMtetrapeptide | 分子名称: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Batuecas, M.T, Dominguez-Gil, T, Hermoso, J.A. | 登録日 | 2017-12-21 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6MRD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mrd by Molmil](/molmil-images/mine/6mrd) | ADP-bound human mitochondrial Hsp60-Hsp10 half-football complex | 分子名称: | 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... | 著者 | Gomez-Llorente, Y, Jebara, F, Patra, M, Malik, R, Nissemblat, S, Azem, A, Hirsch, J.A, Ubarretxena-Belandia, I. | 登録日 | 2018-10-12 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.82 Å) | 主引用文献 | Structural basis for active single and double ring complexes in human mitochondrial Hsp60-Hsp10 chaperonin. Nat Commun, 11, 2020
|
|
6MWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mwn by Molmil](/molmil-images/mine/6mwn) | |
6N04
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n04 by Molmil](/molmil-images/mine/6n04) | The X-ray crystal structure of AbsH3, an FAD dependent reductase from the Abyssomicin biosynthesis pathway in Streptomyces | 分子名称: | AbsH3, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Clinger, J.A, Wang, X, Cai, W, Miller, M.D, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2018-11-06 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway. Proteins, 2020
|
|
6N5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n5f by Molmil](/molmil-images/mine/6n5f) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3 | 分子名称: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-21 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
|
|
6N5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n5g by Molmil](/molmil-images/mine/6n5g) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | 分子名称: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | 登録日 | 2018-11-21 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
|
|
6FNP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fnp by Molmil](/molmil-images/mine/6fnp) | Crystal structure of ECF-CbrT, a cobalamin transporter | 分子名称: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | 著者 | Santos, J.A, Rempel, S, Guskov, A, Slotboom, D.J. | 登録日 | 2018-02-05 | 公開日 | 2018-07-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Functional and structural characterization of an ECF-type ABC transporter for vitamin B12. Elife, 7, 2018
|
|
6MS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ms2 by Molmil](/molmil-images/mine/6ms2) | Crystal structure of the GH43 BlXynB protein from Bacillus licheniformis | 分子名称: | CALCIUM ION, Glycoside Hydrolase Family 43 | 著者 | Zanphorlin, L.M, Morais, M.A.B, Diogo, J.A, Murakami, M.T. | 登録日 | 2018-10-16 | 公開日 | 2019-04-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | 主引用文献 | Structure-guided design combined with evolutionary diversity led to the discovery of the xylose-releasing exo-xylanase activity in the glycoside hydrolase family 43. Biotechnol. Bioeng., 116, 2019
|
|
6PRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pru by Molmil](/molmil-images/mine/6pru) | Photoconvertible crystals of PixJ from Thermosynechococcus elongatus | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D. | 登録日 | 2019-07-11 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.539 Å) | 主引用文献 | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6PQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pqk by Molmil](/molmil-images/mine/6pqk) | |
6P7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p7n by Molmil](/molmil-images/mine/6p7n) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex) | 分子名称: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | 著者 | Knott, G.J, Liu, J.J, Doudna, J.A. | 登録日 | 2019-06-06 | 公開日 | 2019-08-21 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
|
|
6NJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6njs by Molmil](/molmil-images/mine/6njs) | Stat3 Core in complex with compound SD36 | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2019-01-04 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
|
|
6ND7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nd7 by Molmil](/molmil-images/mine/6nd7) | The crystal structure of TerB co-crystallized with polyporic acid | 分子名称: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | 登録日 | 2018-12-13 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
|
|
6NTB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ntb by Molmil](/molmil-images/mine/6ntb) | |
6FZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fzq by Molmil](/molmil-images/mine/6fzq) | Crystal structure of scFv-SM3 in complex with compound 3 | 分子名称: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | 著者 | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | 登録日 | 2018-03-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition. J.Am.Chem.Soc., 140, 2018
|
|
6NNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | 分子名称: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6QA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qa9 by Molmil](/molmil-images/mine/6qa9) | Isolated complex I class refinement from Ovine respiratory supercomplex I+III2 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | 著者 | Letts, J.A, Sazanov, L.A. | 登録日 | 2018-12-19 | 公開日 | 2019-08-21 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
|
|
6QC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qc8 by Molmil](/molmil-images/mine/6qc8) | Ovine respiratory complex I FRC open class 2 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | 著者 | Letts, J.A, Sazanov, L.A. | 登録日 | 2018-12-27 | 公開日 | 2019-08-21 | 最終更新日 | 2019-10-02 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
|
|
6Q9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9b by Molmil](/molmil-images/mine/6q9b) | CI Membrane Arm focused refinement from Ovine respiratory SC I+III2 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | 著者 | Letts, J.A, Sazanov, L.A. | 登録日 | 2018-12-17 | 公開日 | 2019-08-21 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
|
|
6Q9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9n by Molmil](/molmil-images/mine/6q9n) | Crystal structure of PBP2a from MRSA in complex with piperacillin and quinazolinone | 分子名称: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid, CADMIUM ION, CHLORIDE ION, ... | 著者 | Martinez-Caballero, S, Batuecas, M.T, Hermoso, J.A. | 登録日 | 2018-12-18 | 公開日 | 2019-11-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus. Antimicrob.Agents Chemother., 63, 2019
|
|
6FZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fzr by Molmil](/molmil-images/mine/6fzr) | Crystal structure of scFv-SM3 in complex with compound 2 | 分子名称: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | 著者 | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | 登録日 | 2018-03-15 | 公開日 | 2019-02-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition. J.Am.Chem.Soc., 140, 2018
|
|
6QC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qc7 by Molmil](/molmil-images/mine/6qc7) | Ovine respiratory complex I FRC open class 3 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein, ... | 著者 | Letts, J.A, Sazanov, L.A. | 登録日 | 2018-12-27 | 公開日 | 2019-08-21 | 最終更新日 | 2019-10-02 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk. Mol.Cell, 75, 2019
|
|