4CNB
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![BU of 4cnb by Molmil](/molmil-images/mine/4cnb) | Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus - Crystal form 2 | Descriptor: | 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION | Authors: | Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C. | Deposit date: | 2014-01-21 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus. Nat.Commun., 5, 2014
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5LGO
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![BU of 5lgo by Molmil](/molmil-images/mine/5lgo) | Trypsin inhibitors for the treatment of pancreatitis - cpd 15 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A. | Deposit date: | 2016-07-07 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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8IE7
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![BU of 8ie7 by Molmil](/molmil-images/mine/8ie7) | Crystal structure of DAPK1 in complex with pterostilbene | Descriptor: | Death-associated protein kinase 1, Pterostilbene, SULFATE ION | Authors: | Yokoyama, T. | Deposit date: | 2023-02-15 | Release date: | 2023-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.849 Å) | Cite: | Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1. Febs J., 290, 2023
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2W5G
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![BU of 2w5g by Molmil](/molmil-images/mine/2w5g) | RNASE A-5'-ATP COMPLEX | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | Deposit date: | 2008-12-10 | Release date: | 2009-02-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate- Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study. Biopolymers, 91, 2009
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5LH8
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![BU of 5lh8 by Molmil](/molmil-images/mine/5lh8) | Trypsin inhibitors for the treatment of pancreatitis - cpd 8 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | Deposit date: | 2016-07-08 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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2W6W
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![BU of 2w6w by Molmil](/molmil-images/mine/2w6w) | Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon | Descriptor: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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5LI6
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![BU of 5li6 by Molmil](/molmil-images/mine/5li6) | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-2-(4-nitrophenyl)acetamide | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126, ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide | Authors: | Levy, C, Munro, A.W, Leys, D. | Deposit date: | 2016-07-14 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1. J. Biol. Chem., 292, 2017
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4CN9
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![BU of 4cn9 by Molmil](/molmil-images/mine/4cn9) | structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus with zinc occupied MIDAS motif | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PROXIMAL THREAD MATRIX PROTEIN 1, ... | Authors: | Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C. | Deposit date: | 2014-01-21 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus. Nat.Commun., 5, 2014
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4M1Z
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![BU of 4m1z by Molmil](/molmil-images/mine/4m1z) | Crystal structure of MycP1 with the N-terminal propeptide removed | Descriptor: | Membrane-anchored mycosin mycp1 | Authors: | Sun, D.M, He, Y, Wang, C.L, Zang, J.Y, Tian, C.L. | Deposit date: | 2013-08-04 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability. Protein Cell, 4, 2013
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5LIN
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![BU of 5lin by Molmil](/molmil-images/mine/5lin) | |
4CVA
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![BU of 4cva by Molmil](/molmil-images/mine/4cva) | MPS1 kinase with 3-aminopyridin-2-one inhibitors | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | Deposit date: | 2014-03-24 | Release date: | 2015-04-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition To be Published
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4D6B
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![BU of 4d6b by Molmil](/molmil-images/mine/4d6b) | Human myelin protein P2, mutant P38G | Descriptor: | MYELIN P2 PROTEIN, PALMITIC ACID, SULFATE ION | Authors: | Laulumaa, S, Lehtimaki, M, Kursula, P. | Deposit date: | 2014-11-10 | Release date: | 2015-05-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.116 Å) | Cite: | Dynamics of the Peripheral Membrane Protein P2 from Human Myelin Measured by Neutron Scattering-A Comparison between Wild-Type Protein and a Hinge Mutant. Plos One, 10, 2015
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8IJ9
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![BU of 8ij9 by Molmil](/molmil-images/mine/8ij9) | Crystal structure of the ELKS1/Rab6B complex | Descriptor: | ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jin, G, Wei, Z. | Deposit date: | 2023-02-26 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation. J.Biol.Chem., 299, 2023
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4CW9
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![BU of 4cw9 by Molmil](/molmil-images/mine/4cw9) | Entamoeba histolytica thiredoxin C34S mutant | Descriptor: | THIOREDOXIN | Authors: | Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | Deposit date: | 2014-04-01 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action. J.Struct.Biol., 194, 2016
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4M66
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![BU of 4m66 by Molmil](/molmil-images/mine/4m66) | Crystal structure of the mouse RIP3 kinase domain | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y. | Deposit date: | 2013-08-09 | Release date: | 2013-10-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural Insights into RIP3-Mediated Necroptotic Signaling Cell Rep, 5, 2013
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2W0B
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![BU of 2w0b by Molmil](/molmil-images/mine/2w0b) | |
2WEA
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![BU of 2wea by Molmil](/molmil-images/mine/2wea) | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL[CYCLO-7[(2R)-((N-VALYL) AMINO)-2-(HYDROXYL-(1S)-1-METHYOXYCARBONYL-2-PHENYLETHOXY) PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], SODIUM SALT | Descriptor: | METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ... | Authors: | Ding, J, Fraser, M.E, James, M.N.G. | Deposit date: | 1998-02-03 | Release date: | 1998-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Macrocyclic Inhibitors of Penicillopepsin. II. X-Ray Crystallographic Analyses of Penicillopepsin Complexed with a P3-P1 Macrocyclic Peptidyl Inhibitor and with its Two Acyclic Analogues J.Am.Chem.Soc., 120, 1998
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5LIS
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![BU of 5lis by Molmil](/molmil-images/mine/5lis) | |
2WF4
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![BU of 2wf4 by Molmil](/molmil-images/mine/2wf4) | Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-12 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics. Bioorg.Med.Chem.Lett., 19, 2009
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4M7M
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![BU of 4m7m by Molmil](/molmil-images/mine/4m7m) | |
4LPI
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![BU of 4lpi by Molmil](/molmil-images/mine/4lpi) | |
5LJ9
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![BU of 5lj9 by Molmil](/molmil-images/mine/5lj9) | Structure of the E. coli MacB ABC domain (C2221) | Descriptor: | Macrolide export ATP-binding/permease protein MacB | Authors: | Crow, A. | Deposit date: | 2016-07-18 | Release date: | 2017-11-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2WBS
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![BU of 2wbs by Molmil](/molmil-images/mine/2wbs) | Crystal structure of the zinc finger domain of Klf4 bound to its target DNA | Descriptor: | 5'-D(*GP*AP*GP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP*CP*TP*CP)-3', GLYCEROL, ... | Authors: | Zocher, G, Schuetz, A, Carstanjen, D, Heinemann, U. | Deposit date: | 2009-03-03 | Release date: | 2010-04-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation. Cell.Mol.Life Sci., 68, 2011
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5LK9
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![BU of 5lk9 by Molmil](/molmil-images/mine/5lk9) | |
5LPZ
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![BU of 5lpz by Molmil](/molmil-images/mine/5lpz) | |