4IGR
| Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist ZA302 | Descriptor: | (4R)-4-{3-[hydroxy(methyl)amino]-3-oxopropyl}-L-glutamic acid, CHLORIDE ION, Glutamate receptor, ... | Authors: | Larsen, A.P, Venskutonyte, R, Gajhede, M, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2012-12-18 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters. J.Med.Chem., 56, 2013
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3QSC
| The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a copper complex) | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*(BRU)P*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappaO}(2-)]copper (II) | Authors: | Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S. | Deposit date: | 2011-02-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. J.Med.Chem., 55, 2012
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3QSF
| The first crystal structure of a human telomeric G-quadruplex DNA bound to a metal-containing ligand (a nickel complex) | Descriptor: | 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*T)-3', POTASSIUM ION, [2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II) | Authors: | Campbell, N.H, Abd Karim, N.H, Parkinson, G.N, Vilar, R, Neidle, S. | Deposit date: | 2011-02-21 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis of structure-activity relationships between salphen metal complexes and human telomeric DNA quadruplexes. J.Med.Chem., 55, 2012
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6CI1
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3ODV
| X-ray structure of kaliotoxin by racemic protein crystallography | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid | Authors: | Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H. | Deposit date: | 2010-08-11 | Release date: | 2010-10-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography. Chem.Commun.(Camb.), 46, 2010
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6Q2C
| Domain-swapped dimer of Acanthamoeba castellanii CYP51 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Obtusifoliol 14alphademethylase, ... | Authors: | Sharma, V, Podust, L.M. | Deposit date: | 2019-08-07 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole. Mol.Pharmacol., 98, 2020
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6X23
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1AEU
| SPECIFICITY OF LIGAND BINDING IN A POLAR CAVITY OF CYTOCHROME C PEROXIDASE (2-METHYLIMIDAZOLE) | Descriptor: | 2-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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1AA4
| SPECIFICITY OF LIGAND BINDING IN A BURIED POLAR CAVITY OF CYTOCHROME C PEROXIDASE | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-01-22 | Release date: | 1997-07-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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1AES
| SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (IMIDAZOLE) | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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8W9N
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1AET
| VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE) | Descriptor: | 1-METHYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | Deposit date: | 1997-02-25 | Release date: | 1997-09-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A ligand-gated, hinged loop rearrangement opens a channel to a buried artificial protein cavity. Nat.Struct.Biol., 3, 1996
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3DVJ
| Crystal Structure of Ca2+/CaM-CaV2.2 IQ domain (without cloning artifact, HM to TV) complex | Descriptor: | CALCIUM ION, Calmodulin, Voltage-dependent N-type calcium channel subunit alpha-1B | Authors: | Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L. | Deposit date: | 2008-07-18 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation. Structure, 16, 2008
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3DVE
| Crystal Structure of Ca2+/CaM-CaV2.2 IQ domain complex | Descriptor: | CALCIUM ION, Calmodulin, NICKEL (II) ION, ... | Authors: | Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L. | Deposit date: | 2008-07-18 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation. Structure, 16, 2008
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3DVM
| Crystal Structure of Ca2+/CaM-CaV2.1 IQ domain complex | Descriptor: | CALCIUM ION, Calmodulin, Voltage-dependent P/Q-type calcium channel subunit alpha-1A | Authors: | Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L. | Deposit date: | 2008-07-18 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation. Structure, 16, 2008
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3DVK
| Crystal Structure of Ca2+/CaM-CaV2.3 IQ domain complex | Descriptor: | CALCIUM ION, Calmodulin, Voltage-dependent R-type calcium channel subunit alpha-1E | Authors: | Kim, E.Y, Rumpf, C.H, Fujiwara, Y, Cooley, E.S, Van Petegem, F, Minor, D.L. | Deposit date: | 2008-07-18 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Ca(V)2 Ca(2+)/CaM-IQ Domain Complexes Reveal Binding Modes that Underlie Calcium-Dependent Inactivation and Facilitation. Structure, 16, 2008
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5X23
| Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
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5X24
| Crystal structure of CYP2C9 genetic variant I359L (*3) in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-01-30 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
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3BXL
| Crystal structure of the R-type calcium channeL (CaV2.3) IQ domain and CA2+calmodulin complex | Descriptor: | CALCIUM ION, Calmodulin, SULFATE ION, ... | Authors: | Mori, M.X, Vander Kooi, C.W, Leahy, D.J, Yue, D.T. | Deposit date: | 2008-01-14 | Release date: | 2008-03-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the CaV2 IQ domain in complex with Ca2+/calmodulin To be Published
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4IA5
| Hydratase from Lactobacillus acidophilus - SeMet derivative (apo LAH) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2013-08-07 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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2XI4
| Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ... | Authors: | Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2010-06-28 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations. Protein Sci., 20, 2011
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4IA6
| Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Khoshnevis, S, Neumann, P, Ficner, R. | Deposit date: | 2012-12-06 | Release date: | 2013-03-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus Acta Crystallogr.,Sect.D, 69, 2013
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4ERT
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3NKM
| Crystal structure of mouse autotaxin | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | Deposit date: | 2010-06-20 | Release date: | 2011-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators Nat.Struct.Mol.Biol., 18, 2011
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3NKN
| Crystal structure of mouse autotaxin in complex with 14:0-LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O. | Deposit date: | 2010-06-20 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of autotaxin and insight into GPCR activation by lipid mediators Nat.Struct.Mol.Biol., 18, 2011
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