2L8M
 
 | | Reduced and CO-bound cytochrome P450cam (CYP101A1) | | Descriptor: | CAMPHOR, CARBON MONOXIDE, CHLORIDE ION, ... | | Authors: | Pochapsky, T.C, Pochapsky, S.S, Dang, M, Asciutto, E, Madura, J. | | Deposit date: | 2011-01-19 | | Release date: | 2011-02-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Experimentally Restrained Molecular Dynamics Simulations for Characterizing the Open States of Cytochrome P450(cam).
Biochemistry, 50, 2011
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8FPC
 | | Conformation 1 of the ligand binding domain (LBDconf1) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg) | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2 | | Authors: | Nakagawa, T. | | Deposit date: | 2023-01-04 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
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8FPH
 | | Conformation 2 of the ligand binding domain (LBDconf2) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg) | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2 | | Authors: | Nakagawa, T. | | Deposit date: | 2023-01-04 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
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8FPL
 | | LBD conformation 2 (LBDconf2) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100uM CNQX (Closed-CaNaMg) | | Descriptor: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione, CYCLOTHIAZIDE, Glutamate receptor 2 | | Authors: | Nakagawa, T. | | Deposit date: | 2023-01-04 | | Release date: | 2024-02-28 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
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8FQ8
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8FQE
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8FQD
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8FPK
 | | LBD conformation 1 of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100uM CNQX (Closed-CaNaMg) | | Descriptor: | 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione, CYCLOTHIAZIDE, Glutamate receptor 2 | | Authors: | Nakagawa, T. | | Deposit date: | 2023-01-04 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
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2NW8
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and tryptophan. Northeast Structural Genomics Target XcR13. | | Descriptor: | MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2NW9
 | | Crystal Structure of Tryptophan 2,3-dioxygenase (TDO) from Xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast Structural Genomics Target XcR13 | | Descriptor: | 6-FLUORO-L-TRYPTOPHAN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Forouhar, F, Anderson, J.L.R, Mowat, C.G, Bruckmann, C, Thackray, S.J, Seetharaman, J, Ho, C.K, Ma, L.C, Cunningham, K, Janjua, H, Zhao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Champman, S.K, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2LLI
 | | Low resolution structure of RNA-binding subunit of the TRAMP complex | | Descriptor: | Protein AIR2, ZINC ION | | Authors: | Holub, P, Lalakova, J, Cerna, H, Sarazova, M, Pasulka, J, Hrazdilova, K, Arce, M.S, Stefl, R, Vanacova, S. | | Deposit date: | 2011-11-10 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Air2p is critical for the assembly and RNA-binding of the TRAMP complex and the KOW domain of Mtr4p is crucial for exosome activation.
Nucleic Acids Res., 40, 2012
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5FLG
 | | Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP | | Descriptor: | 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H. | | Deposit date: | 2015-10-26 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
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6F29
 | | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A | | Descriptor: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2017-11-23 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
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6F28
 | | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A | | Descriptor: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2017-11-23 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
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4ABG
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4ABA
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4AB8
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4ABD
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4ABE
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5HYG
 | | CmlI (peroxo bound state), arylamine oxygenase of chloramphenicol biosynthetic pathway | | Descriptor: | FE (III) ION, HYDROGEN PEROXIDE, L(+)-TARTARIC ACID, ... | | Authors: | Knoot, C.J, Lipscomb, J.D. | | Deposit date: | 2016-02-01 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structure of CmlI, the arylamine oxygenase from the chloramphenicol biosynthetic pathway.
J.Biol.Inorg.Chem., 21, 2016
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5HYH
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5FN4
 | | Cryo-EM structure of gamma secretase in class 2 of the apo- state ensemble | | Descriptor: | Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ... | | Authors: | Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W. | | Deposit date: | 2015-11-10 | | Release date: | 2015-12-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
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7D7D
 | | CryoEM structure of gp45-dependent transcription activation complex | | Descriptor: | DNA (nontemplate strand), DNA (template strand), DNA polymerase clamp, ... | | Authors: | Shi, J, Wen, A, Jin, S, Feng, Y. | | Deposit date: | 2020-10-03 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Transcription activation by a sliding clamp.
Nat Commun, 12, 2021
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8B03
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B06
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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