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4L49
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Structure of L358A mutant of P450cam bound to camphor
分子名称: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Batabyal, D, Li, H, Poulos, T.L.
登録日2013-06-07
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.128 Å)
主引用文献Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
4GCD
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BU of 4gcd by Molmil
Room temperature X-ray diffraction study of a 6-fold molar excess of a cisplatin/carboplatin mixture binding to HEWL, Dataset 2
分子名称: Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C
著者Helliwell, J.R, Tanley, S.W.M.
登録日2012-07-30
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation.
Acta Crystallogr.,Sect.D, 69, 2013
3EV5
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BU of 3ev5 by Molmil
Crystal Structure of Ribonuclease A in 1M Trimethylamine N-Oxide
分子名称: Ribonuclease pancreatic, trimethylamine oxide
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV2
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BU of 3ev2 by Molmil
Crystal Structure of Ribonuclease A in 70% Isopropanol
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
4KU8
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BU of 4ku8 by Molmil
Structures of PKGI Reveal a cGMP-Selective Activation Mechanism
分子名称: GLYCINE, cGMP-dependent Protein Kinase 1
著者Huang, G.Y, Kim, J.J, Reger, A.S, Lorenz, R, Moon, E.W, Casteel, D.E, Sankaran, B, Herberg, F.W, Kim, C.
登録日2013-05-21
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Structural Basis for Cyclic-Nucleotide Selectivity and cGMP-Selective Activation of PKG I.
Structure, 22, 2014
3EGF
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BU of 3egf by Molmil
SOLUTION STRUCTURE OF MURINE EPIDERMAL GROWTH FACTOR DETERMINED BY NMR SPECTROSCOPY AND REFINED BY ENERGY MINIMIZATION WITH RESTRAINTS
分子名称: EPIDERMAL GROWTH FACTOR
著者Montelione, G.T, Wuthrich, K, Scheraga, H.A.
登録日1992-08-30
公開日1994-01-31
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure of murine epidermal growth factor determined by NMR spectroscopy and refined by energy minimization with restraints.
Biochemistry, 31, 1992
3EST
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BU of 3est by Molmil
STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION
著者Meyer, E.F, Cole, G, Radhakrishnan, R, Epp, O.
登録日1987-09-17
公開日1988-01-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of native porcine pancreatic elastase at 1.65 A resolutions.
Acta Crystallogr.,Sect.B, 44, 1988
3EXD
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BU of 3exd by Molmil
Sulfur-SAD phased HEWL Crystal
分子名称: Lysozyme C
著者Nascimento, A.S, Liberato, M.V, Polikarpov, I.
登録日2008-10-16
公開日2008-10-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The MX2 macromolecular crystallography beamline: a wiggler X-ray source at the LNLS.
J.Synchrotron Radiat., 16, 2009
3ZPT
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BU of 3zpt by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
分子名称: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
著者Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
登録日2013-03-01
公開日2013-11-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
4AA8
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BU of 4aa8 by Molmil
Bovine chymosin at 1.8A resolution
分子名称: CHLORIDE ION, CHYMOSIN
著者Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S.
登録日2011-11-30
公開日2012-12-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties.
Acta Crystallogr.,Sect.D, 69, 2013
3DGF
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BU of 3dgf by Molmil
Structure of a histidine kinase-response regulator complex reveals insights into Two-component signaling and a novel cis-autophosphorylation mechanism
分子名称: Response regulator
著者Casino, P, Marina, A.
登録日2008-06-13
公開日2009-07-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into Partner Specificity and Phosphoryl Transfer in Two-Component Signal Transduction.
Cell(Cambridge,Mass.), 139, 2009
3DE5
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BU of 3de5 by Molmil
roteinase K by Classical hanging drop method after the second step of high X-Ray dose on ESRF ID23-1 beamline
分子名称: CALCIUM ION, Proteinase K
著者Pechkova, E, Tripathi, S.K, Nicolini, C.
登録日2008-06-08
公開日2009-06-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Radiation stability of proteinase K crystals grown by LB nanotemplate method
J.Struct.Biol., 168, 2009
3DHT
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BU of 3dht by Molmil
The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin
分子名称: Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
著者Neelagandan, K, Sathya Moorthy, P, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N.
登録日2008-06-18
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献The Crystal Structure Determination of Rat (rattus norvegicus) Hemoglobin
To be Published
4GJ5
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BU of 4gj5 by Molmil
Crystal structure of renin in complex with NVP-AMQ838 (compound 5)
分子名称: (3R,4R)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013
4JWD
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BU of 4jwd by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(15-28)
分子名称: Cathelicidin-3, Chaperone protein DnaK, SULFATE ION
著者Zahn, M, Straeter, N.
登録日2013-03-27
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7.
Protein Pept.Lett., 21, 2014
4APR
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BU of 4apr by Molmil
STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
分子名称: PEPSTATIN-LIKE RENIN INHIBITOR, RHIZOPUSPEPSIN
著者Suguna, K, Davies, D.R.
登録日1989-08-03
公開日1991-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
4JNE
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BU of 4jne by Molmil
Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Hsp70 CHAPERONE DnaK, ...
著者Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q.
登録日2013-03-15
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
4GLD
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BU of 4gld by Molmil
Crystal Structure of the complex of type II phospholipase A2 with a designed peptide inhibitor Phe - Leu - Ala - Tyr - Lys at 1.69 A resolution
分子名称: ACETATE ION, FLAYK, Phospholipase A2 VRV-PL-VIIIa, ...
著者Shukla, P.K, Sinha, M, Dey, S, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-08-14
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal Structure of the complex of type II phospholipase A2 with a designed peptide inhibitor Phe - Leu - Ala - Tyr - Lys at 1.69 A resolution
To be Published
3D8Z
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BU of 3d8z by Molmil
RNase A- 5'-Deoxy-5'-N-pyrrolidinothymidine complex
分子名称: 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic
著者Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2008-05-26
公開日2009-02-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation
J.Med.Chem., 52, 2009
3D9A
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BU of 3d9a by Molmil
High Resolution Crystal Structure Structure of HyHel10 Fab Complexed to Hen Egg Lysozyme
分子名称: Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C
著者DeSantis, M.E, Li, M, Shanmuganathan, A, Acchione, M, Walter, R, Wlodawer, A, Smith-Gill, S.
登録日2008-05-27
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies.
Mol.Immunol., 47, 2009
4GJ8
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BU of 4gj8 by Molmil
Crystal structure of renin in complex with PKF909-724 (compound 3)
分子名称: (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
4J63
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BU of 4j63 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanone: One of twelve in MSCS set
分子名称: CYCLOHEXANONE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J6D
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BU of 4j6d by Molmil
The 2.4 A crystal structure of CYP154C5 from Nocardia farcinica in complex with testosterone
分子名称: Cytochrome P450 monooxygenase, FORMIC ACID, MAGNESIUM ION, ...
著者Herzog, K, Hoffmann, K.M.
登録日2013-02-11
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
3DPP
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BU of 3dpp by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A)
分子名称: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
著者Roujeinikova, A.
登録日2008-07-09
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
4GJ6
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BU of 4gj6 by Molmil
Crystal structure of renin in complex with NVP-AYZ832 (compound 6a)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-chloro-N-phenylaniline, Renin, ...
著者Ostermann, N, Zink, F, Kroemer, M.
登録日2012-08-09
公開日2013-03-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.
J.Med.Chem., 56, 2013

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