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BU of 5lo6 by Molmil

HSP90 WITH indazole derivative
分子名称:	3-(3,3-dimethylbutyl)-~{N}-methyl-~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-6-oxidanyl-2~{H}-indazole-5-carboxamide, Heat shock protein HSP 90-alpha
著者	Graedler, U, Amaral, M.
登録日	2016-08-08
公開日	2017-11-29
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018

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BU of 5lrl by Molmil

CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875
分子名称:	2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide, Heat shock protein HSP 90-alpha
著者	Vallee, F, Dupuy, A.
登録日	2016-08-19
公開日	2017-08-23
最終更新日	2024-01-10
実験手法	X-RAY DIFFRACTION (1.33 Å)
主引用文献	Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations. J.Chem.Inf.Model., 59, 2019

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BU of 1k1o by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, TRYPSIN, {[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1n by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, TRYPSIN, [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2012-12-12
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1i by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID, TRYPSIN
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1l by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE, SULFATE ION, ...
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1p by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, TRYPSIN, [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1j by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER, SULFATE ION, ...
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1k1m by Molmil

BOVINE TRYPSIN-INHIBITOR COMPLEX
分子名称:	CALCIUM ION, N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE, SULFATE ION, ...
著者	Stubbs, M.T.
登録日	2001-09-25
公開日	2001-11-28
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001

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BU of 1sbn by Molmil

REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
分子名称:	CALCIUM ION, EGLIN C, SUBTILISIN NOVO BPN'
著者	Gruetter, M.G, Heinz, D.W, Priestle, J.P.
登録日	1991-12-20
公開日	1994-01-31
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes. J.Mol.Biol., 217, 1991

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BU of 1sib by Molmil

REFINED CRYSTAL STRUCTURES OF SUBTILISIN NOVO IN COMPLEX WITH WILD-TYPE AND TWO MUTANT EGLINS. COMPARISON WITH OTHER SERINE PROTEINASE INHIBITOR COMPLEXES
分子名称:	CALCIUM ION, EGLIN C, SUBTILISIN NOVO BPN'
著者	Gruetter, M.G, Heinz, D.W, Priestle, J.P.
登録日	1993-08-02
公開日	1993-10-31
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Refined crystal structures of subtilisin novo in complex with wild-type and two mutant eglins. Comparison with other serine proteinase inhibitor complexes. J.Mol.Biol., 217, 1991

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BU of 1cis by Molmil

CONTEXT DEPENDENCE OF PROTEIN SECONDARY STRUCTURE FORMATION. THE THREE-DIMENSIONAL STRUCTURE AND STABILITY OF A HYBRID BETWEEN CHYMOTRYPSIN INHIBITOR 2 AND HELIX E FROM SUBTILISIN CARLSBERG
分子名称:	HYBRID PROTEIN FORMED FROM CHYMOTRYPSIN INHIBITOR-2
著者	Osmark, P, Sorensen, P, Poulsen, F.M.
登録日	1993-04-23
公開日	1993-10-31
最終更新日	2024-04-10
実験手法	SOLUTION NMR
主引用文献	Context dependence of protein secondary structure formation: the three-dimensional structure and stability of a hybrid between chymotrypsin inhibitor 2 and helix E from subtilisin Carlsberg. Biochemistry, 32, 1993

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