6MP7
 
 | | Crystal structure of the E257A mutant of BlMan5B in complex with GlcNAc (soaking) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BlMan5B, CITRATE ANION, ... | | Authors: | Lorizolla-Cordeiro, R, Giuseppe, P.O, Murakami, M.T. | | Deposit date: | 2018-10-05 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | N-glycan Utilization by Bifidobacterium Gut Symbionts Involves a Specialist beta-Mannosidase.
J. Mol. Biol., 431, 2019
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6MP2
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6MNH
 | | ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(2R)-3-methylbutan-2-yl]-1H-benzotriazole-6-carboxamide, ... | | Authors: | Hendle, J, Sauder, J.M, Hickey, M.J, Rauch, C.T, Maletic, M, Schwinn, K.D. | | Deposit date: | 2018-10-01 | | Release date: | 2019-03-27 | | Last modified: | 2019-11-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Idea2Data: Toward a New Paradigm for Drug Discovery.
Acs Med.Chem.Lett., 10, 2019
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6MPC
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6MPA
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3OE0
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15 | | Descriptor: | C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OE9
 | | Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3ODU
 | | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-11 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OE6
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ... | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OHH
 | | Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889 aka n~1~-butyl-5-cyano- n~3~-((1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~-methyl-1h-indole-1,3- dicarboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2010-08-17 | | Release date: | 2011-04-06 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
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3OE8
 | | Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup | | Descriptor: | (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera | | Authors: | Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-08-12 | | Release date: | 2010-10-27 | | Last modified: | 2021-10-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
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3OHF
 | | Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide | | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2010-08-17 | | Release date: | 2011-04-06 | | Last modified: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011
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3QPY
 | | Crystal structure of a mutant (K57A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J. | | Deposit date: | 2011-02-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
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3QQ0
 | | Crystal structure of a deletion mutant (N59) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Allison, T.M, Jameson, G.B, Parker, E.J. | | Deposit date: | 2011-02-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
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3QQ1
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3R51
 | | Structure analysis of a wound-inducible lectin ipomoelin from sweet potato | | Descriptor: | Ipomoelin, methyl alpha-D-mannopyranoside | | Authors: | Liu, K.L, Chang, W.C, Jeng, S.T, Cheng, Y.S. | | Deposit date: | 2011-03-18 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ipomoelin, a jacalin-related lectin with a compact tetrameric association and versatile carbohydrate binding properties regulated by its N terminus.
Plos One, 7, 2012
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3R50
 | | Structure analysis of a wound-inducible lectin ipomoelin from sweet potato | | Descriptor: | Ipomoelin | | Authors: | Liu, K.L, Chang, W.C, Jeng, S.T, Cheng, Y.S. | | Deposit date: | 2011-03-18 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Ipomoelin, a jacalin-related lectin with a compact tetrameric association and versatile carbohydrate binding properties regulated by its N terminus.
Plos One, 7, 2012
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3R52
 | | Structure analysis of a wound-inducible lectin ipomoelin from sweet potato | | Descriptor: | CADMIUM ION, Ipomoelin, methyl alpha-D-glucopyranoside | | Authors: | Liu, K.L, Chang, W.C, Jeng, S.T, Cheng, Y.S. | | Deposit date: | 2011-03-18 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ipomoelin, a jacalin-related lectin with a compact tetrameric association and versatile carbohydrate binding properties regulated by its N terminus.
Plos One, 7, 2012
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2MBX
 | | Structure, dynamics and stability of allergen cod parvalbumin Gad m 1 by solution and high-pressure NMR. | | Descriptor: | CALCIUM ION, Parvalbumin beta | | Authors: | Moraes, A.H, Ackerbauer, D, Bublin, M, Ferreira, F, Almeida, F.C.L, Breiteneder, H, Valente, A. | | Deposit date: | 2013-08-07 | | Release date: | 2014-08-20 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution and high-pressure NMR studies of the structure, dynamics, and stability of the cross-reactive allergenic cod parvalbumin Gad m 1.
Proteins, 82, 2014
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7PA5
 | | Complex between the beta-lactamase CMY-2 with an inhibitory nanobody | | Descriptor: | Beta-lactamase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Frederic Cawez, F.C, Frederic Kerff, F.K, Moreno Galleni, M.G, Raphael Herman, R.H. | | Deposit date: | 2021-07-29 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.184 Å) | | Cite: | Development of Nanobodies as Theranostic Agents against CMY-2-Like Class C beta-Lactamases.
Antimicrob.Agents Chemother., 67, 2023
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1T0H
 | | Crystal structure of the Rattus norvegicus voltage gated calcium channel beta subunit isoform 2a | | Descriptor: | CHLORIDE ION, VOLTAGE-GATED CALCIUM CHANNEL SUBUNIT BETA2A | | Authors: | Van Petegem, F, Clark, K, Chatelain, F, Minor Jr, D. | | Deposit date: | 2004-04-08 | | Release date: | 2004-06-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure of a complex between a voltage-gated calcium channel beta-subunit and an alpha-subunit domain.
Nature, 429, 2004
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1T0J
 | | Crystal structure of a complex between voltage-gated calcium channel beta2a subunit and a peptide of the alpha1c subunit | | Descriptor: | CHLORIDE ION, Voltage-dependent L-type calcium channel alpha-1C subunit, voltage-gated calcium channel subunit beta2a | | Authors: | Van Petegem, F, Clark, K, Chatelain, F, Minor Jr, D. | | Deposit date: | 2004-04-09 | | Release date: | 2004-06-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a complex between a voltage-gated calcium channel beta-subunit and an alpha-subunit domain.
Nature, 429, 2004
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1U38
 | | Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains | | Descriptor: | PVYI, amyloid beta A4 precursor protein-binding, family A, ... | | Authors: | Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M. | | Deposit date: | 2004-07-21 | | Release date: | 2005-07-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
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1U3B
 | | Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains | | Descriptor: | amyloid beta A4 precursor protein-binding, family A, member 1 | | Authors: | Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M. | | Deposit date: | 2004-07-21 | | Release date: | 2005-07-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
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1U37
 | | Auto-inhibition Mechanism of X11s/Mints Family Scaffold Proteins Revealed by the Closed Conformation of the Tandem PDZ Domains | | Descriptor: | amyloid beta A4 precursor protein-binding, family A, member 1 | | Authors: | Feng, W, Long, J.-F, Chan, L.-N, He, C, Fu, A, Xia, J, Ip, N.Y, Zhang, M. | | Deposit date: | 2004-07-21 | | Release date: | 2005-07-26 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Autoinhibition of X11/Mint scaffold proteins revealed by the closed conformation of the PDZ tandem
Nat.Struct.Mol.Biol., 12, 2005
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