3E8U
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![BU of 3e8u by Molmil](/molmil-images/mine/3e8u) | Crystal structure and thermodynamic analysis of diagnostic Fab 106.3 complexed with BNP 5-13 (C10A) reveal basis of selective molecular recognition | 分子名称: | BNP peptide epitope, Fab 106.3 heavy chain, Fab 106.3 light chain | 著者 | Longenecker, K.L, Ruan, Q, Fry, E.H, Saldana, S.S, Brophy, S.E, Richardson, P.L, Tetin, S.Y. | 登録日 | 2008-08-20 | 公開日 | 2009-07-07 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure and thermodynamic analysis of diagnostic mAb 106.3 complexed with BNP 5-13 (C10A). Proteins, 76, 2009
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2AM1
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![BU of 2am1 by Molmil](/molmil-images/mine/2am1) | sp protein ligand 1 | 分子名称: | 2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-(MORPHOLINE-4-SULFONYL)-BENZAMIDE, GLYCEROL, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, ... | 著者 | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | 登録日 | 2005-08-08 | 公開日 | 2006-01-24 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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2AM2
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![BU of 2am2 by Molmil](/molmil-images/mine/2am2) | sp protein ligand 2 | 分子名称: | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein | 著者 | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | 登録日 | 2005-08-08 | 公開日 | 2006-01-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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1CKI
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1CKJ
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1F7C
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![BU of 1f7c by Molmil](/molmil-images/mine/1f7c) | CRYSTAL STRUCTURE OF THE BH DOMAIN FROM GRAF, THE GTPASE REGULATOR ASSOCIATED WITH FOCAL ADHESION KINASE | 分子名称: | RHOGAP PROTEIN | 著者 | Longenecker, K.L, Derewenda, U, Sheffield, P.J, Zheng, Y, Derewenda, Z.S. | 登録日 | 2000-06-26 | 公開日 | 2000-12-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the BH domain from graf and its implications for Rho GTPase recognition. J.Biol.Chem., 275, 2000
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1FT3
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![BU of 1ft3 by Molmil](/molmil-images/mine/1ft3) | CRYSTAL STRUCTURE OF TRUNCATED RHOGDI K141A MUTANT | 分子名称: | RHO GDP-DISSOCIATION INHIBITOR 1 | 著者 | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | 登録日 | 2000-09-11 | 公開日 | 2001-05-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1FST
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![BU of 1fst by Molmil](/molmil-images/mine/1fst) | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI TRIPLE MUTANT | 分子名称: | RHO GDP-DISSOCIATION INHIBITOR 1 | 著者 | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | 登録日 | 2000-09-11 | 公開日 | 2001-05-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1FT0
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![BU of 1ft0 by Molmil](/molmil-images/mine/1ft0) | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI K113A MUTANT | 分子名称: | RHO GDP-DISSOCIATION INHIBITOR 1 | 著者 | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | 登録日 | 2000-09-11 | 公開日 | 2001-05-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1FSO
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![BU of 1fso by Molmil](/molmil-images/mine/1fso) | CRYSTAL STRUCTURE OF TRUNCATED HUMAN RHOGDI QUADRUPLE MUTANT | 分子名称: | RHO GDP-DISSOCIATION INHIBITOR 1 | 著者 | Longenecker, K.L, Garrard, S.M, Sheffield, P.J, Derewenda, Z.S. | 登録日 | 2000-09-11 | 公開日 | 2001-05-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Protein crystallization by rational mutagenesis of surface residues: Lys to Ala mutations promote crystallization of RhoGDI. Acta Crystallogr.,Sect.D, 57, 2001
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1HTJ
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![BU of 1htj by Molmil](/molmil-images/mine/1htj) | STRUCTURE OF THE RGS-LIKE DOMAIN FROM PDZ-RHOGEF | 分子名称: | KIAA0380 | 著者 | Longenecker, K.L, Lewis, M.E, Chikumi, H, Gutkind, J.S, Derewenda, Z.S. | 登録日 | 2000-12-29 | 公開日 | 2001-07-11 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of the RGS-like domain from PDZ-RhoGEF: linking heterotrimeric g protein-coupled signaling to Rho GTPases. Structure, 9, 2001
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2GBC
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![BU of 2gbc by Molmil](/molmil-images/mine/2gbc) | Native DPP-IV (CD26) from Rat | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | 登録日 | 2006-03-10 | 公開日 | 2006-07-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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2GBG
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![BU of 2gbg by Molmil](/molmil-images/mine/2gbg) | rat DPP-IV with alkynyl cyanopyrrolidine #2 | 分子名称: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4, SULFATE ION | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | 登録日 | 2006-03-10 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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2GBI
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![BU of 2gbi by Molmil](/molmil-images/mine/2gbi) | rat DPP-IV with xanthine inhibitor 4 | 分子名称: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | 登録日 | 2006-03-10 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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2GBF
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![BU of 2gbf by Molmil](/molmil-images/mine/2gbf) | rat dpp-IV with alkynyl cyanopyrrolidine #1 | 分子名称: | (1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Jakob, C.G, Fry, E.H, Wilk, S. | 登録日 | 2006-03-10 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystal Structures of DPP-IV (CD26) from Rat Kidney Exhibit Flexible Accommodation of Peptidase-Selective Inhibitors. Biochemistry, 45, 2006
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7SIU
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![BU of 7siu by Molmil](/molmil-images/mine/7siu) | |
5UPF
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![BU of 5upf by Molmil](/molmil-images/mine/5upf) | |
5UPE
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5DYO
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![BU of 5dyo by Molmil](/molmil-images/mine/5dyo) | Fab43.1 complex with flourescein | 分子名称: | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID, Fab 43.1 Heavy Chain, Fab 43.1 Light Chain, ... | 著者 | Longenecker, K.L, Judge, R.A. | 登録日 | 2015-09-25 | 公開日 | 2016-01-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein. Biopolymers, 105, 2016
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2I03
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![BU of 2i03 by Molmil](/molmil-images/mine/2i03) | Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279) | 分子名称: | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Madar, D.J. | 登録日 | 2006-08-09 | 公開日 | 2006-12-12 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes. J.Med.Chem., 49, 2006
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5WI0
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![BU of 5wi0 by Molmil](/molmil-images/mine/5wi0) | |
5WI1
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![BU of 5wi1 by Molmil](/molmil-images/mine/5wi1) | |
7M2F
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![BU of 7m2f by Molmil](/molmil-images/mine/7m2f) | CDK2 with compound 14 inhibitor with carboxylate | 分子名称: | Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | 著者 | Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. | 登録日 | 2021-03-16 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.632 Å) | 主引用文献 | Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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4OCY
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![BU of 4ocy by Molmil](/molmil-images/mine/4ocy) | Fab for methotrexate (unbound apo) | 分子名称: | Fab ADD058 Heavy Chain, Fab ADD058 Light Chain | 著者 | Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. | 登録日 | 2014-01-09 | 公開日 | 2014-07-02 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014
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4OCX
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![BU of 4ocx by Molmil](/molmil-images/mine/4ocx) | Fab complex with methotrexate | 分子名称: | Fab ADD056 Heavy Chain, Fab ADD056 Light Chain, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID | 著者 | Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. | 登録日 | 2014-01-09 | 公開日 | 2014-07-02 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014
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