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4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
4XAS
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BU of 4xas by Molmil
mGluR2 ECD ligand complex
Descriptor: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
8TS5
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BU of 8ts5 by Molmil
Structure of the apo FabS1C_C1
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L.L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TRT
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BU of 8trt by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, monoclinic form
Descriptor: CHLORIDE ION, Ephrin type-A receptor 2, S1CE variant of Fab C1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8TRS
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BU of 8trs by Molmil
Structure of the EphA2 CRD bound to FabS1CE_C1, trigonal form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-08-10
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6WIO
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BU of 6wio by Molmil
Fab antigen complex
Descriptor: Fab Heavy chain, Fab Light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
6WIR
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BU of 6wir by Molmil
Fab antigen complex
Descriptor: Fab heavy chain, Fab light chain, Interleukin-17A
Authors:Antonysamy, S.
Deposit date:2020-04-10
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
6B7H
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BU of 6b7h by Molmil
Structure of mGluR3 with an agonist
Descriptor: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Monn, J.A, Clawson, D.K.
Deposit date:2017-10-04
Release date:2018-04-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Synthesis and Pharmacological Characterization of C4beta-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu3Receptor Agonist.
J. Med. Chem., 61, 2018
8T6I
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BU of 8t6i by Molmil
Structure of VHH-Fab complex with engineered Crystal Kappa region
Descriptor: Fab heavy chain, Fab light chain, GLYCEROL, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-16
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T58
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BU of 8t58 by Molmil
Structure of VHH-Fab complex with engineered FNQIKG elbow region
Descriptor: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
Authors:Filippova, E.V, Kossiakoff, A.A.
Deposit date:2023-06-12
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T8I
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BU of 8t8i by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-22
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T9Y
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BU of 8t9y by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-26
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
3DKF
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BU of 3dkf by Molmil
Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523
Descriptor: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3DKC
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BU of 3dkc by Molmil
Structure of MET receptor tyrosine kinase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Hepatocyte growth factor receptor, ...
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
3DKG
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BU of 3dkg by Molmil
Structure of Mutant(Y1248L) MET receptor tyrosine kinase in complex with inhibitor SGX-523
Descriptor: 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Hendle, J.
Deposit date:2008-06-24
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
2FH7
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BU of 2fh7 by Molmil
Crystal structure of the phosphatase domains of human PTP SIGMA
Descriptor: Receptor-type tyrosine-protein phosphatase S
Authors:Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-12-23
Release date:2006-01-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2HHL
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BU of 2hhl by Molmil
Crystal structure of the human small CTD phosphatase 3 isoform 1
Descriptor: 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein
Authors:Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-28
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2I1Y
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BU of 2i1y by Molmil
Crystal structure of the phosphatase domain of human PTP IA-2
Descriptor: GLYCEROL, Receptor-type tyrosine-protein phosphatase
Authors:Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
3NO8
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BU of 3no8 by Molmil
Crystal structure of the PHR domain from human BTBD2 Protein
Descriptor: BTB/POZ domain-containing protein 2, GLYCEROL, SULFATE ION
Authors:Sampathkumar, P, Miller, S, Rutter, M, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-06-24
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the PHR domain from human BTBD2 Protein
To be Published
5CNK
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BU of 5cnk by Molmil
mglur3 with glutamate
Descriptor: GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Monn, J.A, Clawson, D.K.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNJ
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BU of 5cnj by Molmil
mGlur2 with glutamate analog
Descriptor: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Monn, J.A, Clawson, D.K.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
5CNM
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BU of 5cnm by Molmil
mGluR3 complexed with glutamate analog
Descriptor: (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Monn, J.A, Clawson, D.K, McKinzie, D.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
3N7C
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BU of 3n7c by Molmil
Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
Descriptor: ABR034Wp
Authors:Sampathkumar, P, Manglicmot, D, Gilmore, J, Bain, K, Gheyi, T, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-26
Release date:2010-06-16
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the RAN binding domain from the nuclear pore complex component NUP2 from Ashbya gossypii
To be Published

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