1M27
 
 | | Crystal structure of SAP/FynSH3/SLAM ternary complex | | Descriptor: | CITRATE ANION, Proto-oncogene tyrosine-protein kinase FYN, SH2 domain protein 1A, ... | | Authors: | Chan, B, Griesbach, J, Song, H.K, Poy, F, Terhorst, C, Eck, M.J. | | Deposit date: | 2002-06-21 | | Release date: | 2003-05-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | SAP couples Fyn to SLAM immune receptors.
NAT.CELL BIOL., 5, 2003
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4B2D
 | | human PKM2 with L-serine and FBP bound. | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | | Deposit date: | 2012-07-13 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2.
Nature, 491, 2012
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2QRZ
 | | Cdc42 bound to GMP-PCP: Induced Fit by Effector is Required | | Descriptor: | Cell division control protein 42 homolog precursor, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | | Authors: | Phillips, M.J, Calero, G, Chan, B, Cerione, R.A. | | Deposit date: | 2007-07-30 | | Release date: | 2008-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Effector Proteins Exert an Important Influence on the Signaling-active State of the Small GTPase Cdc42.
J.Biol.Chem., 283, 2008
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9BIK
 | | Crystal structure of inhibitor 1 bound to HPK1 | | Descriptor: | (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F. | | Deposit date: | 2024-04-23 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9BJ1
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | Descriptor: | (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ... | | Authors: | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | Deposit date: | 2024-04-24 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9BI8
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | Descriptor: | (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ... | | Authors: | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | Deposit date: | 2024-04-22 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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7QAJ
 | | ZK002 with Anti-angiogenic and Anti-inflamamtory Properties | | Descriptor: | SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta | | Authors: | Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S. | | Deposit date: | 2021-11-17 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
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6CQF
 | | Crystal structure of HPK1 in complex an inhibitor G1858 | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | | Deposit date: | 2018-03-15 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
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8T4Y
 | | Human HCN1 F186C S264C C309A bound to cAMP, reconstituted in LMNG + SPL | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | | Deposit date: | 2023-06-12 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
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8T50
 | | Open human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | | Deposit date: | 2023-06-12 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
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8T4M
 | | Closed human HCN1 F186C S264C bound to cAMP, reconstituted in LMNG + SPL | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Burtscher, V, Mount, J, Cowgill, J, Chang, Y, Bickel, K, Yuan, P, Chanda, B. | | Deposit date: | 2023-06-09 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural basis for hyperpolarization-dependent opening of human HCN1 channel.
Nat Commun, 15, 2024
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3Q6T
 | | Salivary protein from Lutzomyia longipalpis, Ligand free | | Descriptor: | 43.2 kDa salivary protein, CITRIC ACID | | Authors: | Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M. | | Deposit date: | 2011-01-03 | | Release date: | 2011-07-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
J.Biol.Chem., 286, 2011
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4HFO
 | | Biogenic amine-binding protein selenomethionine derivative | | Descriptor: | Biogenic amine-binding protein | | Authors: | Andersen, J.F, Xu, X, Chang, B, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-01-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
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3Q6P
 | | Salivary protein from Lutzomyia longipalpis. Selenomethionine derivative | | Descriptor: | 43.2 kDa salivary protein, CITRIC ACID | | Authors: | Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M. | | Deposit date: | 2011-01-03 | | Release date: | 2011-07-27 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
J.Biol.Chem., 286, 2011
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1MAZ
 | | X-RAY STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH | | Descriptor: | Bcl-2-like protein 1 | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-09 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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3Q6K
 | | Salivary protein from Lutzomyia longipalpis | | Descriptor: | 43.2 kDa salivary protein, CITRIC ACID, SEROTONIN | | Authors: | Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M. | | Deposit date: | 2011-01-02 | | Release date: | 2011-07-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
J.Biol.Chem., 286, 2011
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4GE1
 | | Structure of the tryptamine complex of the amine binding protein of Rhodnius prolixus | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, Biogenic amine-binding protein, GLYCEROL | | Authors: | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-01-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
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4GET
 | | Crystal structure of biogenic amine binding protein from Rhodnius prolixus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Biogenic amine-binding protein | | Authors: | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2012-08-02 | | Release date: | 2013-01-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
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4O97
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-02 | | Release date: | 2014-05-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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1JWT
 | | CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH A NOVEL BICYCLIC LACTAM INHIBITOR | | Descriptor: | 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE, Prothrombin | | Authors: | Levesque, S, St-Denis, Y, Bachand, B, Preville, P, Leblond, L, Winocour, P.D, Edmunds, J.J, Rubin, J.R, Siddiqui, M.A. | | Deposit date: | 2001-09-05 | | Release date: | 2002-02-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel bicyclic lactam inhibitors of thrombin: potency and selectivity optimization through P1 residues.
Bioorg.Med.Chem.Lett., 11, 2001
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2LKX
 | | NMR structure of the homeodomain of Pitx2 in complex with a TAATCC DNA binding site | | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3'), Pituitary homeobox 3 | | Authors: | Baird-Titus, J.M, Doerdelmann, T, Chaney, B.A, Clark-Baldwin, K, Dave, V, Ma, J. | | Deposit date: | 2011-10-21 | | Release date: | 2012-05-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the K50 class homeodomain PITX2 bound to DNA and implications for mutations that cause Rieger syndrome
Biochemistry, 44, 2005
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1LXL
 | | NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BCL-XL | | Authors: | Muchmore, S.W, Sattler, M, Liang, H, Meadows, R.P, Harlan, J.E, Yoon, H.S, Nettesheim, D, Chang, B.S, Thompson, C.B, Wong, S.L, Ng, S.C, Fesik, S.W. | | Deposit date: | 1996-04-04 | | Release date: | 1997-04-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death.
Nature, 381, 1996
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4O9V
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-05-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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5JON
 | | Crystal structure of the unliganded form of HCN2 CNBD | | Descriptor: | Maltose-binding periplasmic protein,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2, NITRATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Klenchin, V.A, Chanda, B. | | Deposit date: | 2016-05-02 | | Release date: | 2016-11-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.042 Å) | | Cite: | Structure and dynamics underlying elementary ligand binding events in human pacemaking channels.
Elife, 5, 2016
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4DG1
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
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