4E26
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![BU of 4e26 by Molmil](/molmil-images/mine/4e26) | 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
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3UCC
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![BU of 3ucc by Molmil](/molmil-images/mine/3ucc) | 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
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3UJF
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![BU of 3ujf by Molmil](/molmil-images/mine/3ujf) | 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
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3UJE
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![BU of 3uje by Molmil](/molmil-images/mine/3uje) | 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
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3UJR
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![BU of 3ujr by Molmil](/molmil-images/mine/3ujr) | 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
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3UCD
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![BU of 3ucd by Molmil](/molmil-images/mine/3ucd) | 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
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3UJS
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![BU of 3ujs by Molmil](/molmil-images/mine/3ujs) | 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
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2AKZ
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![BU of 2akz by Molmil](/molmil-images/mine/2akz) | 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
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2AKM
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![BU of 2akm by Molmil](/molmil-images/mine/2akm) | 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
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2KBX
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![BU of 2kbx by Molmil](/molmil-images/mine/2kbx) | 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
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2EVP
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![BU of 2evp by Molmil](/molmil-images/mine/2evp) | 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
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2EVK
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![BU of 2evk by Molmil](/molmil-images/mine/2evk) | 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
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6JLH
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![BU of 6jlh by Molmil](/molmil-images/mine/6jlh) | 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
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7E0Z
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![BU of 7e0z by Molmil](/molmil-images/mine/7e0z) | 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
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7E12
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![BU of 7e12 by Molmil](/molmil-images/mine/7e12) | 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
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7E11
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![BU of 7e11 by Molmil](/molmil-images/mine/7e11) | 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
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7W2Z
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![BU of 7w2z by Molmil](/molmil-images/mine/7w2z) | 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
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1MDI
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![BU of 1mdi by Molmil](/molmil-images/mine/1mdi) | |
1MDK
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![BU of 1mdk by Molmil](/molmil-images/mine/1mdk) | 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
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1MDJ
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![BU of 1mdj by Molmil](/molmil-images/mine/1mdj) | 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
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1CQH
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![BU of 1cqh by Molmil](/molmil-images/mine/1cqh) | 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
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1CQG
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![BU of 1cqg by Molmil](/molmil-images/mine/1cqg) | 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
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6MIF
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![BU of 6mif by Molmil](/molmil-images/mine/6mif) | 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: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Non-catalytic signaling by pseudokinase ILK for regulating cell adhesion. Nat Commun, 9, 2018
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4RLP
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![BU of 4rlp by Molmil](/molmil-images/mine/4rlp) | 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
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4RLO
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![BU of 4rlo by Molmil](/molmil-images/mine/4rlo) | 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
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