3L0R
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![BU of 3l0r by Molmil](/molmil-images/mine/3l0r) | Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata | 分子名称: | CHLORIDE ION, Cystatin-2, GLYCEROL | 著者 | Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M. | 登録日 | 2009-12-10 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata Biochem.J., 429, 2010
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6S1J
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![BU of 6s1j by Molmil](/molmil-images/mine/6s1j) | Crystal Structure of DYRK1A with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ... | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | 登録日 | 2019-06-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.408 Å) | 主引用文献 | Kinase Scaffold Repurposing in the Public Domain To be published
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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6S1V
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![BU of 6s1v by Molmil](/molmil-images/mine/6s1v) | Crystal structure of dimeric M-PMV protease D26N mutant in complex with inhibitor | 分子名称: | Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR | 著者 | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | 登録日 | 2019-06-19 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
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3MVS
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![BU of 3mvs by Molmil](/molmil-images/mine/3mvs) | Structure of the N-terminus of Cadherin 23 | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-23 | 著者 | Clark, P, Joseph, J.S, Kolatkar, A.R. | 登録日 | 2010-05-04 | 公開日 | 2010-06-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structure of the N terminus of cadherin 23 reveals a new adhesion mechanism for a subset of cadherin superfamily members. Proc.Natl.Acad.Sci.USA, 107, 2010
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6RQ6
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![BU of 6rq6 by Molmil](/molmil-images/mine/6rq6) | CYP121 in complex with 3-fluoro dicyclotyrosine | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-fluoro dicyclotyrosine, Mycocyclosin synthase, ... | 著者 | Poddar, H, Levy, C. | 登録日 | 2019-05-15 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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3MWR
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![BU of 3mwr by Molmil](/molmil-images/mine/3mwr) | |
3N53
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![BU of 3n53 by Molmil](/molmil-images/mine/3n53) | |
5A3X
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![BU of 5a3x by Molmil](/molmil-images/mine/5a3x) | DYRK1A in complex with hydroxy benzothiazole fragment | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide | 著者 | Rothweiler, U. | 登録日 | 2015-06-03 | 公開日 | 2016-06-29 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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3MZR
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![BU of 3mzr by Molmil](/molmil-images/mine/3mzr) | RNase crystals grown in loops/micromounts | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION | 著者 | Mathews, I.I. | 登録日 | 2010-05-12 | 公開日 | 2011-05-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Diffraction study of protein crystals grown in cryoloops and micromounts. J.Appl.Crystallogr., 43, 2010
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6S4C
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![BU of 6s4c by Molmil](/molmil-images/mine/6s4c) | Crystal Structure of the vWFA2 subdomain of type VII collagen | 分子名称: | Collagen alpha-1(VII) chain, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Gebauer, J.M, Flachsenberg, F, Baumann, U, Seeger, K. | 登録日 | 2019-06-27 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and biophysical characterization of the type VII collagen vWFA2 subdomain leads to identification of two binding sites. Febs Open Bio, 10, 2020
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6RU7
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![BU of 6ru7 by Molmil](/molmil-images/mine/6ru7) | Crystal structure of Casein Kinase I delta (CK1d) in complex with double phosphorylated p63 PAD2P peptide | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | 著者 | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-05-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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5A1R
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![BU of 5a1r by Molmil](/molmil-images/mine/5a1r) | |
5A4T
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![BU of 5a4t by Molmil](/molmil-images/mine/5a4t) | DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE | 著者 | Rothweiler, U. | 登録日 | 2015-06-15 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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3MU1
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![BU of 3mu1 by Molmil](/molmil-images/mine/3mu1) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Fifth step of radiation damage | 分子名称: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | 著者 | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | 登録日 | 2010-05-01 | 公開日 | 2010-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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3MUV
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![BU of 3muv by Molmil](/molmil-images/mine/3muv) | Crystal Structure of the G20A/C92U mutant c-di-GMP riboswith bound to c-di-AMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, G20A/C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ... | 著者 | Strobel, S.A, Smith, K.D. | 登録日 | 2010-05-03 | 公開日 | 2010-08-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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6QWZ
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![BU of 6qwz by Molmil](/molmil-images/mine/6qwz) | HEWL lysozyme, crystallized from KCl solution | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | 登録日 | 2019-03-06 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | HEWL lysozyme, crystallized from different chlorides To Be Published
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6QY1
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![BU of 6qy1 by Molmil](/molmil-images/mine/6qy1) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | 著者 | Lieske, J, Tolstikova, A, Meents, A. | 登録日 | 2019-03-08 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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6QYX
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![BU of 6qyx by Molmil](/molmil-images/mine/6qyx) | p38(alpha) MAP kinase with the activation loop of ERK2 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Livnah, O, Eitan-Wexler, M, Vinograd, N. | 登録日 | 2019-03-10 | 公開日 | 2020-04-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
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4ZZO
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![BU of 4zzo by Molmil](/molmil-images/mine/4zzo) | Human ERK2 in complex with an irreversible inhibitor | 分子名称: | MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | 登録日 | 2015-04-10 | 公開日 | 2015-05-27 | 最終更新日 | 2015-08-26 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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5AH9
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![BU of 5ah9 by Molmil](/molmil-images/mine/5ah9) | Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | 分子名称: | (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, PROTEASE | 著者 | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Enstrom, O, Unge, J. | 登録日 | 2015-02-05 | 公開日 | 2015-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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5AIR
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![BU of 5air by Molmil](/molmil-images/mine/5air) | |
5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/5a8z) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | 著者 | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | 登録日 | 2015-07-17 | 公開日 | 2016-08-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
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6R1Q
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![BU of 6r1q by Molmil](/molmil-images/mine/6r1q) | murine Neuroglobin under 2 kBar of argon | 分子名称: | ARGON, CHLORIDE ION, Neuroglobin, ... | 著者 | Prange, T, Colloc'h, N, Carpentier, P, Vallone, B. | 登録日 | 2019-03-14 | 公開日 | 2020-04-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Argon-labelling protein crystals by high pressure cooling at 2000 Bar To Be Published
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4ZZ4
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![BU of 4zz4 by Molmil](/molmil-images/mine/4zz4) | |