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4CNB
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BU of 4cnb by Molmil
Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus - Crystal form 2
分子名称: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
著者Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
登録日2014-01-21
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
5LGO
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BU of 5lgo by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 15
分子名称: (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, ...
著者Schiering, N, D'Arcy, A.
登録日2016-07-07
公開日2016-08-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
8IE7
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BU of 8ie7 by Molmil
Crystal structure of DAPK1 in complex with pterostilbene
分子名称: Death-associated protein kinase 1, Pterostilbene, SULFATE ION
著者Yokoyama, T.
登録日2023-02-15
公開日2023-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Characterization of the molecular interactions between resveratrol derivatives and death-associated protein kinase 1.
Febs J., 290, 2023
2W5G
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BU of 2w5g by Molmil
RNASE A-5'-ATP COMPLEX
分子名称: ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC
著者Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R.
登録日2008-12-10
公開日2009-02-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
5LH8
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BU of 5lh8 by Molmil
Trypsin inhibitors for the treatment of pancreatitis - cpd 8
分子名称: (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, ...
著者Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J.
登録日2016-07-08
公開日2016-08-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
2W6W
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BU of 2w6w by Molmil
Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon
分子名称: GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C.
登録日2008-12-19
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
5LI6
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BU of 5li6 by Molmil
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
分子名称: 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
著者Levy, C, Munro, A.W, Leys, D.
登録日2016-07-14
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
4CN9
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BU of 4cn9 by Molmil
structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus with zinc occupied MIDAS motif
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PROXIMAL THREAD MATRIX PROTEIN 1, ...
著者Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
登録日2014-01-21
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
4M1Z
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BU of 4m1z by Molmil
Crystal structure of MycP1 with the N-terminal propeptide removed
分子名称: Membrane-anchored mycosin mycp1
著者Sun, D.M, He, Y, Wang, C.L, Zang, J.Y, Tian, C.L.
登録日2013-08-04
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
5LIN
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BU of 5lin by Molmil
Lysozyme, collected at rotation 1 degree per second
分子名称: CHLORIDE ION, Lysozyme C
著者Casanas, A, Finke, A, Wang, M.
登録日2016-07-15
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
4CVA
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BU of 4cva by Molmil
MPS1 kinase with 3-aminopyridin-2-one inhibitors
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ...
著者Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K.
登録日2014-03-24
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
4D6B
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BU of 4d6b by Molmil
Human myelin protein P2, mutant P38G
分子名称: MYELIN P2 PROTEIN, PALMITIC ACID, SULFATE ION
著者Laulumaa, S, Lehtimaki, M, Kursula, P.
登録日2014-11-10
公開日2015-05-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.116 Å)
主引用文献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
8IJ9
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BU of 8ij9 by Molmil
Crystal structure of the ELKS1/Rab6B complex
分子名称: ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Jin, G, Wei, Z.
登録日2023-02-26
公開日2023-06-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation.
J.Biol.Chem., 299, 2023
4CW9
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BU of 4cw9 by Molmil
Entamoeba histolytica thiredoxin C34S mutant
分子名称: THIOREDOXIN
著者Parsonage, D, Kells, P.M, Vieira, D.F, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
登録日2014-04-01
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献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
4M66
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BU of 4m66 by Molmil
Crystal structure of the mouse RIP3 kinase domain
分子名称: Receptor-interacting serine/threonine-protein kinase 3
著者Xie, T, Peng, W, Yan, C, Wu, J, Shi, Y.
登録日2013-08-09
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Structural Insights into RIP3-Mediated Necroptotic Signaling
Cell Rep, 5, 2013
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
分子名称: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2008-08-12
公開日2009-01-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
2WEA
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BU of 2wea by Molmil
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
分子名称: METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE], PENICILLOPEPSIN, SULFATE ION, ...
著者Ding, J, Fraser, M.E, James, M.N.G.
登録日1998-02-03
公開日1998-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献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
2WF4
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BU of 2wf4 by Molmil
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
分子名称: 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
著者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.
登録日2009-04-02
公開日2009-05-12
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics.
Bioorg.Med.Chem.Lett., 19, 2009
5LIS
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BU of 5lis by Molmil
Insulin solved by Native SAD from a dataset collected in one second
分子名称: Insulin
著者Casanas, A, Finke, A, Wang, M.
登録日2016-07-15
公開日2016-08-03
最終更新日2016-09-28
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献EIGER detector: application in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
4M7M
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BU of 4m7m by Molmil
Crystal structure of the R111K:R132Q:Y134F:T54V:R59W:A32W mutant of the Cellular Retinoic Acid Binding Protein Type II in complex with All-Trans Retinal at 2.57 Angstrom Resolution
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2013-08-12
公開日2013-10-09
最終更新日2014-02-19
実験手法X-RAY DIFFRACTION (2.571 Å)
主引用文献Rational Design of a Colorimetric pH Sensor from a Soluble Retinoic Acid Chaperone.
J.Am.Chem.Soc., 135, 2013
4LPI
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BU of 4lpi by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a distal hydrogen-bonding network
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Lin, Y.
登録日2013-07-16
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
5LJ9
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BU of 5lj9 by Molmil
Structure of the E. coli MacB ABC domain (C2221)
分子名称: Macrolide export ATP-binding/permease protein MacB
著者Crow, A.
登録日2016-07-18
公開日2017-11-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2WBS
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BU of 2wbs by Molmil
Crystal structure of the zinc finger domain of Klf4 bound to its target DNA
分子名称: 5'-D(*GP*AP*GP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP*CP*TP*CP)-3', GLYCEROL, ...
著者Zocher, G, Schuetz, A, Carstanjen, D, Heinemann, U.
登録日2009-03-03
公開日2010-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011
5LK9
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Dehaloperoxidase B from Amphitrite ornata: indazole complex
分子名称: 1H-indazole, Dehaloperoxidase B, GLYCEROL, ...
著者Chicano, T.M, Dworkowski, F.S.N, Hough, M.A.
登録日2016-07-21
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Dehaloperoxidase B from Amphitrite ornata: indazole complex
to be published
5LPZ
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Crystal structure of the BRI1 kinase domain (865-1196) in complex with ADP from Arabidopsis thaliana
分子名称: ADENOSINE-5'-DIPHOSPHATE, Protein BRASSINOSTEROID INSENSITIVE 1
著者Bojar, D, Martinez, J, Hothorn, M.
登録日2016-08-15
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structures of the phosphorylated BRI1 kinase domain and implications for brassinosteroid signal initiation.
Plant J., 78, 2014

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