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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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
 | | 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
 | | 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
 | | 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
 | | 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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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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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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5LIS
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4M7M
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4LPI
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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
 | | 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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5LPZ
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