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5KMO
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BU of 5kmo by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6P8X
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BU of 6p8x by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019
5KMI
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BU of 5kmi by Molmil
TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
Descriptor: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
Descriptor: Defensin-5, SULFATE ION
Authors:Pazgier, M, Gohain, N, Tolbert, W.D.
Deposit date:2014-09-13
Release date:2015-07-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
5KMJ
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BU of 5kmj by Molmil
TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide
Descriptor: High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMM
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BU of 5kmm by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7PQV
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BU of 7pqv by Molmil
MEK1 IN COMPLEX WITH COMPOUND 7
Descriptor: 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Moebitz, H.
Deposit date:2021-09-20
Release date:2022-03-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
6HGY
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BU of 6hgy by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
Descriptor: Cathepsin K, THALASSOSPIRAMIDE C
Authors:Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M.
Deposit date:2018-08-23
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
Descriptor: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
Authors:Muckelbauer, J.K, Chang, C.-H.
Deposit date:2000-09-11
Release date:2001-10-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
8W1N
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BU of 8w1n by Molmil
Structure of transthyretin pathogenic mutation A120S
Descriptor: Transthyretin
Authors:Ferguson, J.A, Stanfield, R.L, Wright, P.E.
Deposit date:2024-02-16
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The mispacked F87 sidechain drives aggregation-promoting conformational fluctuations in transthyretin
To Be Published
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
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
1JQS
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BU of 1jqs by Molmil
Fitting of L11 protein and elongation factor G (domain G' and V) in the cryo-em map of E. coli 70S ribosome bound with EF-G and GMPPCP, a nonhydrolysable GTP analog
Descriptor: 50S Ribosomal protein L11, Elongation Factor G
Authors:Agrawal, R.K, Linde, J, Segupta, J, Nierhaus, K.H, Frank, J.
Deposit date:2001-08-07
Release date:2001-09-07
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (18 Å)
Cite:Localization of L11 protein on the ribosome and elucidation of its involvement in EF-G-dependent translocation.
J.Mol.Biol., 311, 2001
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
8I8A
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BU of 8i8a by Molmil
Cryo-EM structure of the major capsid protein VP39 of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Major viral capsid protein
Authors:Jia, X, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8C
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BU of 8i8c by Molmil
Plug structure of the Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: Occlusion-derived virus envelope/capsid protein, P40
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.93 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
8I8B
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BU of 8i8b by Molmil
Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV)
Descriptor: 38K, AcOrf-109 peptide, Early 49 Daa protein, ...
Authors:Jia, X, Gao, Y, Zhang, Q.
Deposit date:2023-02-03
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (4.31 Å)
Cite:Architecture of the baculovirus nucleocapsid revealed by cryo-EM.
Nat Commun, 14, 2023
2PJ4
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BU of 2pj4 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-Benzyloxycarbonylamino-cyclohexyl-methyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
Descriptor: (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
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ9
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BU of 2pj9 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Aminomethyl-phenyl)-3-{[(R)-1-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-propionic acid COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(S)-{(1R)-1-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
3S2A
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BU of 3s2a by Molmil
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
Descriptor: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whittington, D.A, Tang, J, Yakowec, P.
Deposit date:2011-05-16
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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
Descriptor: (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
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJC
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BU of 2pjc by Molmil
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
Descriptor: (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
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PIZ
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BU of 2piz by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 2-(3-Guanidino-phenyl)-3-[hydroxy-(3-phenyl-propyl)-phosphinoyl]-propionic acid COMPLEX
Descriptor: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ5
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BU of 2pj5 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B [((R)-1-Benzyloxycarbonylamino-hexyl)-hydroxy-phosphinoyloxy]-(3-guanidino-phenyl)-acetic acid COMPLEX
Descriptor: (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
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008

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數據於2024-07-24公開中

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