3FVY
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![BU of 3fvy by Molmil](/molmil-images/mine/3fvy) | Crystal structure of human Dipeptidyl Peptidase III | Descriptor: | CHLORIDE ION, Dipeptidyl-peptidase 3, MAGNESIUM ION, ... | Authors: | Dong, A, Dobrovetsky, E, Seitova, A, Duncan, B, Crombet, L, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-16 | Release date: | 2009-02-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Entropy-driven binding of opioid peptides induces a large domain motion in human dipeptidyl peptidase III. Proc.Natl.Acad.Sci.USA, 109, 2012
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8BBU
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![BU of 8bbu by Molmil](/molmil-images/mine/8bbu) | Crystal structure of medical leech destabilase (high salt) | Descriptor: | GLYCEROL, Lysozyme, MALONATE ION, ... | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | Deposit date: | 2022-10-14 | Release date: | 2023-02-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural insights into thrombolytic activity of destabilase from medicinal leech. Sci Rep, 13, 2023
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2OB9
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![BU of 2ob9 by Molmil](/molmil-images/mine/2ob9) | Structure of bacteriophage HK97 tail assembly chaperone | Descriptor: | Tail assembly chaperone | Authors: | McGrath, T.E, Tuite, A, Bona, D, Saridakis, V, Edwards, A.M, Maxwell, K, Chirgadze, N.Y. | Deposit date: | 2006-12-18 | Release date: | 2007-12-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A conserved spiral structure for highly diverged phage tail assembly chaperones. J.Mol.Biol., 425, 2013
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8BBW
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![BU of 8bbw by Molmil](/molmil-images/mine/8bbw) | Crystal structure of medical leech destabilase (low salt) | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme | Authors: | Marin, E, Bukhdruker, S, Manuvera, V, Kornilov, D, Zinovev, E, Bobrovsky, P, Lazarev, V, Borshchevskiy, V. | Deposit date: | 2022-10-14 | Release date: | 2023-02-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural insights into thrombolytic activity of destabilase from medicinal leech. Sci Rep, 13, 2023
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3DYS
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![BU of 3dys by Molmil](/molmil-images/mine/3dys) | human phosphodiestrase-5'GMP complex (EP), produced by soaking with 20mM cGMP+20 mM MnCl2+20 mM MgCl2 for 2 hours, and flash-cooled to liquid nitrogen temperature when substrate was still abudant. | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, FORMIC ACID, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3K9A
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![BU of 3k9a by Molmil](/molmil-images/mine/3k9a) | Crystal Structure of HIV gp41 with MPER | Descriptor: | HIV glycoprotein gp41 | Authors: | Shi, W, Han, D, Habte, H, Cho, M, Chance, M.R. | Deposit date: | 2009-10-15 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural characterization of HIV gp41 with the membrane-proximal external region J.Biol.Chem., 285, 2010
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3HSV
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![BU of 3hsv by Molmil](/molmil-images/mine/3hsv) | Structures of SPOP-Substrate Complexes: Insights into Molecular Architectures of BTB-Cul3 Ubiquitin Ligases: SPOPMATHx-MacroH2ASBCpep2 | Descriptor: | Core histone macro-H2A.1, SULFATE ION, Speckle-type POZ protein, ... | Authors: | Zhuang, M, Schulman, B.A, Miller, D. | Deposit date: | 2009-06-10 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structures of SPOP-substrate complexes: insights into molecular architectures of BTB-Cul3 ubiquitin ligases. Mol.Cell, 36, 2009
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3DYQ
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![BU of 3dyq by Molmil](/molmil-images/mine/3dyq) | human phosphodiestrase 9 (inhibited by omitting divalent cation) in complex with cGMP | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, CYCLIC GUANOSINE MONOPHOSPHATE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Liu, S, Mansour, M.N, Dillman, K, Perez, J, Danley, D, Menniti, F. | Deposit date: | 2008-07-28 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the catalytic mechanism of human phosphodiesterase 9. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3DZO
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![BU of 3dzo by Molmil](/molmil-images/mine/3dzo) | Crystal structure of a rhoptry kinase from toxoplasma gondii | Descriptor: | MAGNESIUM ION, Rhoptry kinase domain | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-30 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii. Embo J., 28, 2009
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4A9Y
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![BU of 4a9y by Molmil](/molmil-images/mine/4a9y) | P38ALPHA MAP KINASE BOUND TO CMPD 8 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-29 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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3G0G
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![BU of 3g0g by Molmil](/molmil-images/mine/3g0g) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | Descriptor: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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4AAC
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![BU of 4aac by Molmil](/molmil-images/mine/4aac) | P38ALPHA MAP KINASE BOUND TO CMPD 29 | Descriptor: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-12-01 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
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2O2U
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![BU of 2o2u by Molmil](/molmil-images/mine/2o2u) | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | Descriptor: | Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | Authors: | Somers, D, Rowland, P. | Deposit date: | 2006-11-30 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 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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3KET
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![BU of 3ket by Molmil](/molmil-images/mine/3ket) | Crystal structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae bound to a palindromic operator | Descriptor: | DNA (5'-D(*AP*AP*TP*TP*GP*TP*GP*AP*AP*AP*T)-3'), DNA (5'-D(P*AP*TP*TP*TP*CP*AP*CP*AP*AP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Thiyagarajan, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2009-10-26 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence. Plos Pathog., 17, 2021
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6TTK
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![BU of 6ttk by Molmil](/molmil-images/mine/6ttk) | Crystal structure of the kelch domain of human KLHL12 in complex with DVL1 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DVL1, ... | Authors: | Chen, Z, Williams, E, Pike, A.C.W, Strain-Damerell, C, Wang, D, Chalk, R, Burgess-Brown, N, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-12-27 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.383 Å) | Cite: | Identification of a PGXPP degron motif in dishevelled and structural basis for its binding to the E3 ligase KLHL12. Open Biology, 10, 2020
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3UVR
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![BU of 3uvr by Molmil](/molmil-images/mine/3uvr) | Human p38 MAP Kinase in Complex with KM064 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: |
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2Q1T
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![BU of 2q1t by Molmil](/molmil-images/mine/2q1t) | Crystal structure of the Bordetella bronchiseptica enzyme WbmF in complex with NAD+ and UDP | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative nucleotide sugar epimerase/ dehydratase, URIDINE-5'-DIPHOSPHATE | Authors: | Harmer, N.J, King, J.D, Palmer, C.M, Maskell, D, Blundell, T.L. | Deposit date: | 2007-05-25 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis. J.Mol.Biol., 374, 2007
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4A6X
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![BU of 4a6x by Molmil](/molmil-images/mine/4a6x) | RadA C-terminal ATPase domain from Pyrococcus furiosus bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2011-11-10 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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4A1X
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![BU of 4a1x by Molmil](/molmil-images/mine/4a1x) | Co-Complex structure of NS3-4A protease with the inhibitory peptide CP5-46-A (Synchrotron data) | Descriptor: | CHLORIDE ION, CP5-46-A PEPTIDE, NONSTRUCTURAL PROTEIN 4A, ... | Authors: | Schmelz, S, Kuegler, J, Collins, J, Heinz, D. | Deposit date: | 2011-09-20 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Affinity Peptide Inhibitors of the Hepatitis C Virus Ns3-4A Protease Refractory to Common Resistant Mutants. J.Biol.Chem., 287, 2012
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3G0D
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![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | Descriptor: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2009-01-27 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
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3IQM
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![BU of 3iqm by Molmil](/molmil-images/mine/3iqm) | Active site mutants of B. subtilis SecA | Descriptor: | Protein translocase subunit secA, SULFATE ION | Authors: | Kim, D, Hunt, J.F. | Deposit date: | 2009-08-20 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | ATPase Active-Site Electrostatic Interactions Control the Global Conformation of the 100 kDa SecA Translocase. J.Am.Chem.Soc., 135, 2013
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4A6P
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![BU of 4a6p by Molmil](/molmil-images/mine/4a6p) | RadA C-terminal ATPase domain from Pyrococcus furiosus | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2011-11-08 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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3J04
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![BU of 3j04 by Molmil](/molmil-images/mine/3j04) | EM structure of the heavy meromyosin subfragment of Chick smooth muscle Myosin with regulatory light chain in phosphorylated state | Descriptor: | Myosin light polypeptide 6, Myosin regulatory light chain 2, smooth muscle major isoform, ... | Authors: | Baumann, B.A.J, Taylor, D, Huang, Z, Tama, F, Fagnant, P.M, Trybus, K, Taylor, K. | Deposit date: | 2011-02-18 | Release date: | 2011-11-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Phosphorylated smooth muscle heavy meromyosin shows an open conformation linked to activation. J.Mol.Biol., 415, 2012
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2OJW
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![BU of 2ojw by Molmil](/molmil-images/mine/2ojw) | Crystal structure of human glutamine synthetase in complex with ADP and phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Uppenberg, J, Arrowsmith, C, Berglund, H, Busam, R.D, Collins, R, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Hogbom, M, Johansson, I, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-01-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of mammalian glutamine synthetases illustrate substrate-induced conformational changes and provide opportunities for drug and herbicide design. J.Mol.Biol., 375, 2008
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3KEO
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![BU of 3keo by Molmil](/molmil-images/mine/3keo) | Crystal Structure of a Rex-family transcriptional regulatory protein from Streptococcus agalactiae complexed with NAD+ | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Thiyagarajan, S, Logan, D, von Wachenfeldt, C. | Deposit date: | 2009-10-26 | Release date: | 2010-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | NAD+ pool depletion as a signal for the Rex regulon involved in Streptococcus agalactiae virulence. Plos Pathog., 17, 2021
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