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5IBQ
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BU of 5ibq by Molmil
Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
分子名称: 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ...
著者Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2016-02-22
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
2BKS
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BU of 2bks by Molmil
crystal structure of Renin-PF00074777 complex
分子名称: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
著者Powell, N.A, Clay, E.H, Holsworth, D.D, Edmunds, J.J, Bryant, J.W, Ryan, J.M, Jalaie, M, Zhang, E.
登録日2005-02-18
公開日2006-04-05
最終更新日2021-07-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
4UWW
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BU of 4uww by Molmil
Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell
分子名称: STRUTHIOCALCIN-1
著者Ruiz, R.R, Moreno, A, Romero, A.
登録日2014-08-14
公開日2015-04-08
最終更新日2015-04-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
7NUO
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BU of 7nuo by Molmil
Rhinovirus 14 empty particle at pH 6.2
分子名称: Genome polyprotein, P1
著者Hrebik, D, Plevka, P.
登録日2021-03-12
公開日2021-05-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
9INS
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BU of 9ins by Molmil
MONOVALENT CATION BINDING IN CUBIC INSULIN CRYSTALS
分子名称: INSULIN (CHAIN A), INSULIN (CHAIN B)
著者Badger, J, Dodson, G.G.
登録日1991-10-23
公開日1991-11-07
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Monovalent cation binding to cubic insulin crystals
Biophys.J., 61, 1992
7NUL
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Rhinovirus-14 ICAM-1 activated particle at pH 6.2
分子名称: Genome polyprotein, P1
著者Hrebik, D, Plevka, P.
登録日2021-03-12
公開日2021-05-19
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
7OAJ
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BU of 7oaj by Molmil
Crystal structure of pseudokinase CASK in complex with compound 7
分子名称: 1,2-ETHANEDIOL, 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
7OAI
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Crystal structure of pseudokinase CASK in complex with PFE-PKIS12
分子名称: 1,2-ETHANEDIOL, 4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
7OAK
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BU of 7oak by Molmil
Crystal structure of pseudokinase CASK in complex with compound 26
分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
9HVP
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BU of 9hvp by Molmil
Design, activity and 2.8 Angstroms crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease
分子名称: HIV-1 Protease, benzyl [(1R,4S,6S,9R)-4,6-dibenzyl-5-hydroxy-1,9-bis(1-methylethyl)-2,8,11-trioxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate
著者Neidhart, D.J, Erickson, J.
登録日1990-11-06
公開日1992-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease.
Science, 249, 1990
9FVO
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BU of 9fvo by Molmil
The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Endothiapepsin, ...
著者Falke, S, Senst, J.M, Guenther, S, Meents, A.
登録日2024-06-27
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The HIV protease inhibitor amprenavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
7OAL
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BU of 7oal by Molmil
Crystal structure of pseudokinase CASK in complex with compound 25
分子名称: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
著者Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-04-19
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
9CMZ
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BU of 9cmz by Molmil
Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor KG2-051
分子名称: (4-{[5-chloro-4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, CHLORIDE ION, Protein kinase 6, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2024-07-15
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor KG2-051
To be published
9LPR
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BU of 9lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE BORONIC ACID INHIBITOR, SULFATE ION
著者Bone, R, Agard, D.A.
登録日1991-08-05
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
9PAI
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CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN ACTIVATOR INHIBITOR-1
分子名称: PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 19-364, PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 365-397
著者Aertgeerts, K, De Bondt, H.L, De Ranter, C.J, Declerck, P.J.
登録日1999-03-11
公開日1999-03-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mechanisms contributing to the conformational and functional flexibility of plasminogen activator inhibitor-1.
Nat.Struct.Biol., 2, 1995
9RSA
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BU of 9rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
分子名称: 3'-DEOXY-3'-ACETAMIDO-URIDINE, RIBONUCLEASE A
著者Nachman, J, Wlodawer, A.
登録日1989-08-28
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
7NXE
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BU of 7nxe by Molmil
Structure of the Phospholipase C gamma 1 tSH2 domain in complex with a phosphorylated KSHV pK15 peptide
分子名称: Isoform 2 of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Protein K15
著者Ssebyatika, G, Krey, T.
登録日2021-03-18
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Recruitment of phospholipase C gamma 1 to the non-structural membrane protein pK15 of Kaposi Sarcoma-associated herpesvirus promotes its Src-dependent phosphorylation.
Plos Pathog., 17, 2021
9PTI
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BU of 9pti by Molmil
BASIC PANCREATIC TRYPSIN INHIBITOR (MET 52 OXIDIZED)
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
著者Eigenbrot, C, Randal, M, Kossiakoff, A.A.
登録日1991-04-08
公開日1992-04-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献

9LYZ
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BU of 9lyz by Molmil
X-RAY CRYSTALLOGRAPHY OF THE BINDING OF THE BACTERIAL CELL WALL TRISACCHARIDE NAM-NAG-NAM TO LYSOZYME
分子名称: HEN EGG WHITE LYSOZYME, N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid
著者Kelly, J.A, James, M.N.G.
登録日1979-12-06
公開日1980-02-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray crystallography of the binding of the bacterial cell wall trisaccharide NAM-NAG-NAM to lysozyme.
Nature, 282, 1979
9RAT
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BU of 9rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
分子名称: RIBONUCLEASE A
著者Tilton Jr, R.F, Dewan, J.C, Petsko, G.A, Gilbert, W.
登録日1991-08-13
公開日1993-07-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
9G35
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BU of 9g35 by Molmil
The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
分子名称: 1,2-ETHANEDIOL, Endothiapepsin, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ...
著者Falke, S, Senst, J.M, Guenther, S, Meents, A.
登録日2024-07-11
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The HIV protease inhibitor lopinavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
9G34
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The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Falke, S, Senst, J.M, Guenther, S, Meents, A.
登録日2024-07-11
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The HIV protease inhibitor darunavir binding to the active site of Cryphonectria parasitica endothiapepsin
To Be Published
7NVQ
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BU of 7nvq by Molmil
Aerosol-soaked human cdk2 crystals with Staurosporine
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
著者Ross, B, Huber, R.
登録日2021-03-15
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aerosol-based ligand soaking of reservoir-free protein crystals.
J.Appl.Crystallogr., 54, 2021
7NY8
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BU of 7ny8 by Molmil
Affimer K69 - KRAS protein complex
分子名称: Affimer K69, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Turner, A.L, Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
登録日2021-03-21
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
7OCM
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K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain
著者de Jonge, H, de Nola, G, Gherardi, E.
登録日2021-04-27
公開日2021-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist.
Life Sci Alliance, 5, 2022

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件を2024-08-07に公開中

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