2ID8
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![BU of 2id8 by Molmil](/molmil-images/mine/2id8) | Crystal structure of Proteinase K | Descriptor: | (S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, J, Dauter, M, Dauter, Z. | Deposit date: | 2006-09-14 | Release date: | 2006-10-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | What can be done with a good crystal and an accurate beamline? Acta Crystallogr.,Sect.D, 62, 2006
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6Z44
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![BU of 6z44 by Molmil](/molmil-images/mine/6z44) | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6Z51
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![BU of 6z51 by Molmil](/molmil-images/mine/6z51) | Crystal structure of CLK3 in complex with macrocycle ODS2002941 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of CLK3 in complex with macrocycle ODS2002941 To Be Published
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6Z2V
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![BU of 6z2v by Molmil](/molmil-images/mine/6z2v) | CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | Authors: | Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-18 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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2IEY
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![BU of 2iey by Molmil](/molmil-images/mine/2iey) | Crystal Structure of mouse Rab27b bound to GDP in hexagonal space group | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B | Authors: | Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S. | Deposit date: | 2006-09-19 | Release date: | 2007-05-01 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structure of the small GTPase Rab27b shows an unexpected swapped dimer Acta Crystallogr.,Sect.D, 63, 2007
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2NXM
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![BU of 2nxm by Molmil](/molmil-images/mine/2nxm) | |
6Z4Y
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![BU of 6z4y by Molmil](/molmil-images/mine/6z4y) | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 | Descriptor: | 1,2-ETHANEDIOL, 6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Aurora kinase A, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Aurora A (STK6) in complex with macrocycle ODS2003208 To Be Published
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4LM5
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![BU of 4lm5 by Molmil](/molmil-images/mine/4lm5) | Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002) | Descriptor: | 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-10 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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6ZLN
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![BU of 6zln by Molmil](/molmil-images/mine/6zln) | CLK1 bound with GW807982X (Cpd 8) | Descriptor: | 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-30 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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2OHK
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2OHU
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![BU of 2ohu by Molmil](/molmil-images/mine/2ohu) | X-ray crystal structure of beta secretase complexed with compound 8b | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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2G10
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![BU of 2g10 by Molmil](/molmil-images/mine/2g10) | Photolyzed CO L29F Myoglobin: 3.16ns | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Aranda, R, Levin, E.J, Schotte, F, Anfinrud, P.A, Phillips Jr, G.N. | Deposit date: | 2006-02-13 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Time-dependent atomic coordinates for the dissociation of carbon monoxide from myoglobin. Acta Crystallogr.,Sect.D, 62, 2006
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2O4K
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![BU of 2o4k by Molmil](/molmil-images/mine/2o4k) | Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, CHLORIDE ION, ... | Authors: | Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. | Deposit date: | 2006-12-04 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
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2O5B
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![BU of 2o5b by Molmil](/molmil-images/mine/2o5b) | Manganese horse heart myoglobin, reduced | Descriptor: | MANGANESE PROTOPORPHYRIN IX, Myoglobin, SULFATE ION | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-05 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2G1N
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![BU of 2g1n by Molmil](/molmil-images/mine/2g1n) | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE, Renin | Authors: | Holsworth, D.D. | Deposit date: | 2006-02-14 | Release date: | 2006-06-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ketopiperazine-based renin inhibitors: Optimization of the "C" ring BIOORG.MED.CHEM.LETT., 16, 2006
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2O5L
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![BU of 2o5l by Molmil](/molmil-images/mine/2o5l) | Manganese horse heart myoglobin, methanol modified | Descriptor: | METHANOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2O5O
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![BU of 2o5o by Molmil](/molmil-images/mine/2o5o) | Manganese horse heart myoglobin, nitrite modified | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING MN, ... | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2O5T
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![BU of 2o5t by Molmil](/molmil-images/mine/2o5t) | Cobalt horse heart myoglobin, oxidized | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING CO, SULFATE ION | Authors: | Richter-Addo, G.B, Zahran, Z.N, Chooback, L, Copeland, D.M, West, A.H. | Deposit date: | 2006-12-06 | Release date: | 2007-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of manganese- and cobalt-substituted myoglobin in complex with NO and nitrite reveal unusual ligand conformations. J.Inorg.Biochem., 102, 2008
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2G21
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![BU of 2g21 by Molmil](/molmil-images/mine/2g21) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | Descriptor: | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM, Renin | Authors: | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | Deposit date: | 2006-02-15 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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2GDM
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![BU of 2gdm by Molmil](/molmil-images/mine/2gdm) | LEGHEMOGLOBIN (OXY) | Descriptor: | LEGHEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Harutyunyan, E.H, Safonova, T.N, Kuranova, I.P, Popov, A.N, Teplyakov, A.V, Obmolova, G.V, Rusakov, A.A, Dodson, G.G, Wilson, J.C, Perutz, M.F. | Deposit date: | 1994-09-14 | Release date: | 1995-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of Deoxy-and Oxy-Leghaemoglobin from Lupin J.Mol.Biol., 251, 1995
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2GDO
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![BU of 2gdo by Molmil](/molmil-images/mine/2gdo) | 4-(Aminoalkylamino)-3-Benzimidazole-Quinolinones As Potent CHK1 Inhibitors | Descriptor: | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | Authors: | Le, V, Dove, J, Fang, E, Bussiere, D.E. | Deposit date: | 2006-03-16 | Release date: | 2007-03-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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2O9V
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2O0U
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![BU of 2o0u by Molmil](/molmil-images/mine/2o0u) | Crystal structure of human JNK3 complexed with N-{3-cyano-6-[3-(1-piperidinyl)propanoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl}-1-naphthalenecarboxamide | Descriptor: | Mitogen-activated protein kinase 10, N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE | Authors: | Rowland, P, Somers, D. | Deposit date: | 2006-11-28 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg.Med.Chem.Lett., 17, 2007
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2G4N
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![BU of 2g4n by Molmil](/molmil-images/mine/2g4n) | Anomalous substructure of alpha-lactalbumin | Descriptor: | Alpha-lactalbumin, CALCIUM ION, POTASSIUM ION | Authors: | Mueller-Dieckmann, C, Weiss, M.S. | Deposit date: | 2006-02-22 | Release date: | 2007-02-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths. Acta Crystallogr.,Sect.D, 63, 2007
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2G6B
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![BU of 2g6b by Molmil](/molmil-images/mine/2g6b) | Crystal structure of human RAB26 in complex with a GTP analogue | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-26, ... | Authors: | Wang, J, Tempel, W, Shen, Y, Shen, L, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-24 | Release date: | 2006-03-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human RAB26 in complex with a GTP analogue To be Published
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