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4E26
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BU of 4e26 by Molmil
BRAF in complex with an organic inhibitor 7898734
Descriptor: 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf
Authors:Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R.
Deposit date:2012-03-07
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55, 2012
3UCD
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BU of 3ucd by Molmil
Asymmetric complex of human neuron specific enolase-2-PGA/PEP
Descriptor: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-10-26
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJS
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BU of 3ujs by Molmil
Asymmetric complex of human neuron specific enolase-6-PGA/PEP
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, (2R)-3-oxo-2-(phosphonooxy)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-08
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJE
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BU of 3uje by Molmil
Asymmetric complex of human neuron specific enolase-3-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-07
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UCC
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BU of 3ucc by Molmil
Asymmetric complex of human neuron specific enolase-1-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-10-26
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJF
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BU of 3ujf by Molmil
Asymmetric complex of human neuron specific enolase-4-PGA/PEP
Descriptor: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-07
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
3UJR
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BU of 3ujr by Molmil
Asymmetric complex of human neuron specific enolase-5-PGA/PEP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ...
Authors:Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
Deposit date:2011-11-08
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
2EVP
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BU of 2evp by Molmil
The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins
Descriptor: BETA-MERCAPTOETHANOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L.
Deposit date:2005-10-31
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins(,).
Biochemistry, 45, 2006
2EVK
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BU of 2evk by Molmil
The Structures of Thiolate- and Carboxylate-Ligated Ferric H93G Myoglobin: Models for Cytochrome P450 and for Oxyanion-Bound Heme Proteins
Descriptor: ACETIC ACID, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Qin, J, Perera, R, Lovelace, L.L, Dawson, J.H, Lebioda, L.
Deposit date:2005-10-31
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of thiolate- and carboxylate-ligated ferric H93G myoglobin: models for cytochrome P450 and for oxyanion-bound heme proteins.
Biochemistry, 45, 2006
6JLH
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BU of 6jlh by Molmil
Structure of SCGN in complex with a Snap25 peptide
Descriptor: CALCIUM ION, CHLORIDE ION, Secretagogin, ...
Authors:Qin, J, Sun, Q, Jia, D.
Deposit date:2019-03-05
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and mechanistic insights into secretagogin-mediated exocytosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
2KBX
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BU of 2kbx by Molmil
Solution structure of ILK-PINCH complex
Descriptor: Integrin-linked protein kinase, LIM and senescent cell antigen-like-containing domain protein 1, ZINC ION
Authors:Qin, J.
Deposit date:2008-12-10
Release date:2008-12-30
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Cytosketal proteins
To be Published
2AKZ
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BU of 2akz by Molmil
Fluoride Inhibition of Enolase: Crystal Structure of the Inhibitory Complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLUORIDE ION, Gamma enolase, ...
Authors:Qin, J, Chai, G, Brewer, J.M, Lovelace, L.L.
Deposit date:2005-08-04
Release date:2006-03-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fluoride inhibition of enolase: crystal structure and thermodynamics
Biochemistry, 45, 2006
2AKM
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BU of 2akm by Molmil
Fluoride Inhibition of Enolase: Crystal Structure of the Inhibitory Complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gamma enolase, MAGNESIUM ION, ...
Authors:Qin, J, Chai, G, Brewer, J.M, Lovelace, L.L.
Deposit date:2005-08-03
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fluoride inhibition of enolase: crystal structure and thermodynamics
Biochemistry, 45, 2006
7E11
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BU of 7e11 by Molmil
Crystal structure of PKAc-PLN R9C complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
Authors:Qin, J, Lin, L, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E12
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BU of 7e12 by Molmil
Crystal structure of PKAc-A11E complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ...
Authors:Qin, J, Lin, L, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E0Z
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BU of 7e0z by Molmil
Crystal structure of PKAc-PLN complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
Authors:Qin, J, Yuchi, Z.
Deposit date:2021-01-28
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7W2Z
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BU of 7w2z by Molmil
Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex
Descriptor: Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ...
Authors:Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y.
Deposit date:2021-11-24
Release date:2022-01-19
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
1CQH
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BU of 1cqh by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: REF-1 PEPTIDE, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1996-04-02
Release date:1996-08-01
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal.
Structure, 4, 1996
1CQG
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BU of 1cqg by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, 31 STRUCTURES
Descriptor: REF-1 PEPTIDE, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1996-04-02
Release date:1996-08-01
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:The solution structure of human thioredoxin complexed with its target from Ref-1 reveals peptide chain reversal.
Structure, 4, 1996
4RLP
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BU of 4rlp by Molmil
Human p70s6k1 with ruthenium-based inhibitor FL772
Descriptor: CHLORIDE ION, [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium, p70S6K1
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
4RLO
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BU of 4rlo by Molmil
Human p70s6k1 with ruthenium-based inhibitor EM5
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R.
Deposit date:2014-10-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.527 Å)
Cite:Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
6MIF
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BU of 6mif by Molmil
Lim5 domain of PINCH1 protein
Descriptor: LIM and senescent cell antigen-like-containing domain protein 1, ZINC ION
Authors:Qin, J, Vaynberg, J.
Deposit date:2018-09-19
Release date:2018-10-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Non-catalytic signaling by pseudokinase ILK for regulating cell adhesion.
Nat Commun, 9, 2018
1MDJ
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BU of 1mdj by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB)
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
1MDI
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BU of 1mdi by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN MUTANT HUMAN THIOREDOXIN AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
1MDK
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BU of 1mdk by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB)
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995

217705

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