6NFY
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![BU of 6nfy by Molmil](/molmil-images/mine/6nfy) | Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state. | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Johnson, E, McTigue, M, Cronin, C.N. | Deposit date: | 2018-12-21 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
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5WK3
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![BU of 5wk3 by Molmil](/molmil-images/mine/5wk3) | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CCL17 AND M116 FAB | Descriptor: | C-C motif chemokine 17, GLYCEROL, M116 HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Gilliland, G.L. | Deposit date: | 2017-07-24 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into chemokine CCL17 recognition by antibody M116. Biochem Biophys Rep, 13, 2018
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5WNM
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![BU of 5wnm by Molmil](/molmil-images/mine/5wnm) | |
5WK9
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![BU of 5wk9 by Molmil](/molmil-images/mine/5wk9) | R186AP450cam with CN and camphor | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Poulos, T.L, Batabyal, D. | Deposit date: | 2017-07-24 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.983 Å) | Cite: | Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics. J. Am. Chem. Soc., 139, 2017
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5WR9
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![BU of 5wr9 by Molmil](/molmil-images/mine/5wr9) | Crystal structure of hen egg-white lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | Deposit date: | 2016-12-01 | Release date: | 2017-12-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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5X1R
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![BU of 5x1r by Molmil](/molmil-images/mine/5x1r) | PpkA-294 apo form | Descriptor: | PpkA-294 | Authors: | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | Deposit date: | 2017-01-26 | Release date: | 2018-01-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
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6NNY
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![BU of 6nny by Molmil](/molmil-images/mine/6nny) | |
6NWV
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![BU of 6nwv by Molmil](/molmil-images/mine/6nwv) | |
6NP6
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![BU of 6np6 by Molmil](/molmil-images/mine/6np6) | Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis | Descriptor: | Crp/Fnr family transcriptional regulator, GLYCEROL | Authors: | Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Scarsdale, J.N, Lewis, J.P. | Deposit date: | 2019-01-17 | Release date: | 2019-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nitrosative Stress Sensing in Porphyromonas gingivalis: Structure and Mechanisms of the Heme Binding Transcriptional Regulator HcpR. Acta Crystallogr D Struct Biol, 75, 2019
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6NUP
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6NV7
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![BU of 6nv7 by Molmil](/molmil-images/mine/6nv7) | BACE1 in complex with a macrocyclic inhibitor | Descriptor: | (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide, Beta-secretase 1 | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-04 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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6O21
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![BU of 6o21 by Molmil](/molmil-images/mine/6o21) | Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | Authors: | Ilyichova, O.V, Buckle, A.M. | Deposit date: | 2019-02-22 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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6NVB
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![BU of 6nvb by Molmil](/molmil-images/mine/6nvb) | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4 | Descriptor: | GLYCEROL, Kallikrein-4, SULFATE ION | Authors: | Riley, B.T, Buckle, A.M, McGowan, S. | Deposit date: | 2019-02-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.636 Å) | Cite: | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4. Acta Crystallogr.,Sect.F, 75, 2019
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6O1S
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![BU of 6o1s by Molmil](/molmil-images/mine/6o1s) | Structure of human plasma kallikrein protease domain with inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-21 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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2IJ4
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![BU of 2ij4 by Molmil](/molmil-images/mine/2ij4) | Structure of the A264K mutant of cytochrome P450 BM3 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 | Authors: | Toogood, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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5EDB
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2IKO
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![BU of 2iko by Molmil](/molmil-images/mine/2iko) | Crystal Structure of Human Renin Complexed with Inhibitor | Descriptor: | 5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE, Renin | Authors: | Mochalkin, I. | Deposit date: | 2006-10-02 | Release date: | 2006-11-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal.Biochem., 360, 2007
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5EH0
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![BU of 5eh0 by Molmil](/molmil-images/mine/5eh0) | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, N2-(2-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | Deposit date: | 2015-10-27 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach. J.Med.Chem., 59, 2016
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3EU1
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![BU of 3eu1 by Molmil](/molmil-images/mine/3eu1) | Crystal Structure determination of goat hemoglobin (Capra hircus) at 3 angstrom resolution | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-A, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sathya Moorthy, P, Neelagandan, K, Balasubramanian, M, Ponnuswamy, M.N. | Deposit date: | 2008-10-09 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Purification, crystallization and preliminary X-ray diffraction studies on goat (Capra hircus) hemoglobin - a low oxygen affinity species Protein Pept.Lett., 16, 2009
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3E7Z
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![BU of 3e7z by Molmil](/molmil-images/mine/3e7z) | Structure of human insulin | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Timofeev, V.I, Lyashenko, A.V, Kislitsyn, Y.A, Baidus, A.N, Kuranova, I.P. | Deposit date: | 2008-08-19 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of human insulin To be published
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5EI0
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![BU of 5ei0 by Molmil](/molmil-images/mine/5ei0) | Structure of RCL-cleaved vaspin (serpinA12) | Descriptor: | Serpin A12 | Authors: | Pippel, J, Kuettner, B.E, Ulbricht, D, Daberger, J, Schultz, S, Heiker, J.T, Strater, N. | Deposit date: | 2015-10-29 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of cleaved vaspin (serpinA12). Biol.Chem., 397, 2016
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2IOT
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![BU of 2iot by Molmil](/molmil-images/mine/2iot) | Clavulanic Acid bound to Elastase | Descriptor: | Elastase-1, N-(3-OXOPROPYL)GLYCINE, SULFATE ION | Authors: | Farady, C, Navia, M.A. | Deposit date: | 2006-10-10 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elastase Inhibition by Clavulanic Acid, and Inhibitor of Bacterial b-lactamases: Mechanistic and Structural Studies To be Published
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6ZHI
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2IT6
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![BU of 2it6 by Molmil](/molmil-images/mine/2it6) | Crystal Structure of DCSIGN-CRD with man2 | Descriptor: | CALCIUM ION, CD209 antigen, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Weis, W.I, Feinberg, H, Castelli, R, Drickamer, K, Seeberger, P.H. | Deposit date: | 2006-10-19 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Multiple modes of binding enhance the affinity of DC-SIGN for high mannose N-linked glycans found on viral glycoproteins. J.Biol.Chem., 282, 2007
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3EBZ
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![BU of 3ebz by Molmil](/molmil-images/mine/3ebz) | High Resolution HIV-2 Protease Structure in Complex with Clinical Drug Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2008-08-28 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural evidence for effectiveness of darunavir and two related antiviral inhibitors against HIV-2 protease J.Mol.Biol., 384, 2008
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