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6HGY
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BU of 6hgy by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
分子名称: Cathepsin K, THALASSOSPIRAMIDE C
著者Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M.
登録日2018-08-23
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4WXP
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BU of 4wxp by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
3H98
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BU of 3h98 by Molmil
Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative
分子名称: GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L.
登録日2009-04-30
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives.
Bioorg.Med.Chem.Lett., 19, 2009
1FJS
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BU of 1fjs by Molmil
CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA
分子名称: CALCIUM ION, CHLORIDE ION, COAGULATION FACTOR XA, ...
著者Adler, M, Whitlow, M.
登録日2000-08-08
公開日2000-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa.
Biochemistry, 39, 2000
1QBN
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BU of 1qbn by Molmil
Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex
分子名称: 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-25
公開日2000-05-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1QB6
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BU of 1qb6 by Molmil
BOVINE TRYPSIN 3,3'-[3,5-DIFLUORO-4-METHYL-2, 6-PYRIDINEDIYLBIS(OXY)]BIS(BENZENECARBOXIMIDAMIDE) (ZK-805623) COMPLEX
分子名称: 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE), CALCIUM ION, POTASSIUM ION, ...
著者Whitlow, M.
登録日1999-04-29
公開日2000-04-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1QB1
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BU of 1qb1 by Molmil
Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)
分子名称: 1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-28
公開日2000-04-29
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
2PIY
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BU of 2piy by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (S)-2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propane-1-sulfonylamino)-propyl]-phosphinoyl}-propionic acid {ZK 528} COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
1Z5M
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BU of 1z5m by Molmil
Crystal Structure Of N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamide Complexed with Human PDK1
分子名称: 3-phosphoinositide dependent protein kinase-1, CHLORIDE ION, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2005-03-18
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.
J.Biol.Chem., 280, 2005
1MQ5
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BU of 1mq5 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
分子名称: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
著者Adler, M, Whitlow, M.
登録日2002-09-13
公開日2003-01-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
分子名称: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
著者Adler, M, Whitlow, M.
登録日2002-09-13
公開日2003-01-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
2PJB
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BU of 2pjb by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[1-((S)-2-benzyloxycarbonylamino-3-phenyl-propane-1-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
分子名称: (5S,9R,10R,12S)-12-[3-(AMINOMETHYL)PHENYL]-5-BENZYL-10-HYDROXY-9-ISOPROPYL-3-OXO-1-PHENYL-2-OXA-7-THIA-4,8-DIAZA-10-PHOSPHATRIDECAN-13-OIC ACID 7,7,10-TRIOXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ3
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BU of 2pj3 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Guanidino-phenyl)-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propionylamino)-propyl]-phosphinoyloxy}-acetic acid COMPLEX
分子名称: (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-HYDROXY{(1R)-2-METHYL-1-[(3-PHENYLPROPANOYL)AMINO]PROPYL}PHOSPHORYL]OXY}ACETIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ0
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BU of 2pj0 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ7
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BU of 2pj7 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzenesulfonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ6
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BU of 2pj6 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(2-phenyl-ethanesulfonylamino)-propyl]-phosphinoyl}-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJC
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B ({(R)-1-[(S)-2-Benzyloxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propyl}-hydroxy-phosphinoyloxy)-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (2S)-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL){[(S)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-TYROSYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]OXY}ACETIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ5
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-hexyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ8
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(biphenyl-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJA
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 3-{[(R)-1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-2-(3-guanidino-phenyl)-propionic acid COMPLEX
分子名称: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PIZ
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Guanidino-phenyl)-3-[hydroxy-(3-phenyl-propyl)-phosphinoyl]-propionic acid COMPLEX
分子名称: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
1QB9
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BU of 1qb9 by Molmil
BOVINE TRYPSIN 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL] METHYL]NAPHTHALENE-2-CARBOXIMIDAMIDE (ZK-806450) COMPLEX
分子名称: 7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, POTASSIUM ION, ...
著者Whitlow, M.
登録日1999-04-30
公開日2000-04-30
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
2PJ4
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
分子名称: (5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ2
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CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyl]-propionic acid COMPLEX
分子名称: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008

 

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