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5KZN
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Metabotropic Glutamate Receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2
Authors:Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
Deposit date:2016-07-25
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5KZQ
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Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
Deposit date:2016-07-25
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
3NO9
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Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
Descriptor: Fumarate hydratase class II
Authors:Li, H, Swanson, S, Yu, M, Hung, L.-W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-06-25
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
To be Published
4UAQ
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Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis
Descriptor: Protein translocase subunit SecA 2
Authors:Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-08-11
Release date:2015-09-09
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2.
J.Bacteriol., 198, 2015
4XAQ
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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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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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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
8CZF
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Human BAK in complex with the dF2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DF2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZG
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BU of 8czg by Molmil
Human BAK in complex with the dF3 peptide
Descriptor: Bcl-2 homologous antagonist/killer, dF3 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
8CZH
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BU of 8czh by Molmil
Human BAK in complex with the dM2 peptide
Descriptor: Bcl-2 homologous antagonist/killer, DM2 peptide
Authors:Aguilar, F, Keating, A.E.
Deposit date:2022-05-24
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Structure, 31, 2023
5CNI
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BU of 5cni by Molmil
mGlu2 with Glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Clawson, D.K, Atwell, S, Monn, J.A.
Deposit date:2015-07-17
Release date:2015-09-09
Last modified:2023-02-15
Method:X-RAY DIFFRACTION (2.69 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
5CNK
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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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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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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
6B7H
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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
1XJU
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Crystal structure of secreted inactive form of P1 phage endolysin Lyz
Descriptor: Lysozyme, SULFATE ION
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
1XJT
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Crystal structure of active form of P1 phage endolysin Lyz
Descriptor: CITRIC ACID, Lysozyme
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005

217705

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