7WC8
 
 | | Crystal structure of serotonin 2A receptor in complex with lumateperone | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC9
 | | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | | Descriptor: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC7
 | | Crystal structure of serotonin 2A receptor in complex with lisuride | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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7WC4
 | | Crystal structure of serotonin 2A receptor in complex with serotonin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | Deposit date: | 2021-12-18 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
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1JM0
 | | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | | Authors: | Di Costanzo, L, Geremia, S. | | Deposit date: | 2001-07-17 | | Release date: | 2002-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
J.Am.Chem.Soc., 123, 2001
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1JMB
 | | CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL | | Descriptor: | DIMETHYL SULFOXIDE, MANGANESE (II) ION, PROTEIN (FOUR-HELIX BUNDLE MODEL) | | Authors: | Di Costanzo, L, Geremia, S. | | Deposit date: | 2001-07-18 | | Release date: | 2002-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center.
J.Am.Chem.Soc., 123, 2001
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5FQ2
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1I0E
 | | CRYSTAL STRUCTURE OF CREATINE KINASE FROM HUMAN MUSCLE | | Descriptor: | CREATINE KINASE,M CHAIN | | Authors: | Shen, Y.-Q, Tang, L, Zhou, H.-M, Lin, Z.-J. | | Deposit date: | 2001-01-29 | | Release date: | 2003-04-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of human muscle creatine kinase.
Acta Crystallogr.,Sect.D, 57, 2001
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1PYZ
 | | CRYSTALLOGRAPHIC STRUCTURE OF MIMOCHROME IV | | Descriptor: | CHLORIDE ION, CO(III)-(DEUTEROPORPHYRIN IX), MIMOCHROME IV, ... | | Authors: | Di Costanzo, L, Geremia, S, Randaccio, L, Nastri, F, Maglio, O, Lombardi, A, Pavone, V. | | Deposit date: | 2003-07-09 | | Release date: | 2004-12-14 | | Last modified: | 2018-06-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Miniaturized heme proteins: crystal structure of Co(III)-mimochrome IV.
J.Biol.Inorg.Chem., 9, 2004
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2L6S
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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2ILU
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2IMP
 | | Crystal structure of lactaldehyde dehydrogenase from E. coli: the ternary complex with lactate (occupancy 0.5) and NADH. Crystals soaked with (L)-Lactate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, LACTIC ACID, Lactaldehyde dehydrogenase, ... | | Authors: | Di Costanzo, L, Gomez, G.A, Christianson, D.W. | | Deposit date: | 2006-10-04 | | Release date: | 2007-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli and Inferences Regarding Substrate and Cofactor Specificity.
J.Mol.Biol., 366, 2007
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2HG2
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2PLL
 | | Crystal structure of perdeuterated human arginase I | | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, MANGANESE (II) ION, arginase-1 | | Authors: | Di Costanzo, L, Moulin, M, Haertlein, M, Meilleur, F, Christianson, D.W. | | Deposit date: | 2007-04-19 | | Release date: | 2007-08-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Expression, purification, assay, and crystal structure of perdeuterated human arginase I
Arch.Biochem.Biophys., 465, 2007
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2OA6
 | | Aristolochene synthase from Aspergillus terreus complexed with pyrophosphate | | Descriptor: | Aristolochene synthase, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | Authors: | Shishova, E.Y, Di Costanzo, L, Cane, D.E, Christianson, D.W. | | Deposit date: | 2006-12-15 | | Release date: | 2007-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray crystal structure of aristolochene synthase from Aspergillus terreus and evolution of templates for the cyclization of farnesyl diphosphate
Biochemistry, 46, 2007
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3SKK
 | | Crystal structure of human arginase I in complex with the inhibitor FABH, Resolution 1.70 A, twinned structure | | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) | | Authors: | Thorn, K.J, Di Costanzo, L, Christianson, D.W. | | Deposit date: | 2011-06-22 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
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2PHA
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2PHO
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2JNR
 | | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | | Descriptor: | ENV polyprotein, VIR165 | | Authors: | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | | Deposit date: | 2007-02-01 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
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1PX0
 | | Crystal structure of the haloalcohol dehalogenase HheC complexed with the haloalcohol mimic (R)-1-para-nitro-phenyl-2-azido-ethanol | | Descriptor: | (R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL, halohydrin dehalogenase | | Authors: | de Jong, R.M, Tiesinga, J.J.W, Rozeboom, H.J, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | | Deposit date: | 2003-07-02 | | Release date: | 2003-10-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Mechanism of a Bacterial Haloalcohol Dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site
EMBO J., 22, 2003
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5YT0
 | | Crystal structure of the complex of archaeal ribosomal stalk protein aP1 and archaeal translation initiation factor aIF5B | | Descriptor: | Archaeal ribosomal stalk protein aP1, GUANOSINE-5'-DIPHOSPHATE, Probable translation initiation factor IF-2 | | Authors: | Murakami, R, Singh, C.R, Morris, J, Tang, L, Harmon, I, Miyoshi, T, Ito, K, Asano, K, Uchiumi, T. | | Deposit date: | 2017-11-16 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The Interaction between the Ribosomal Stalk Proteins and Translation Initiation Factor 5B Promotes Translation Initiation
Mol. Cell. Biol., 38, 2018
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4IEI
 | | Crystal Structure of the large terminase subunit gp2 of bacterial virus Sf6 complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Gene 2 protein | | Authors: | Zhao, H, Christensen, T, Kamau, Y, Tang, L. | | Deposit date: | 2012-12-13 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structures of the phage Sf6 large terminase provide new insights into DNA translocation and cleavage.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IEE
 | | Crystal Structure of the large terminase subunit gp2 of bacterial virus Sf6 complexed with ATP-r-S | | Descriptor: | Gene 2 protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Zhao, H, Christensen, T, Kamau, Y, Tang, L. | | Deposit date: | 2012-12-13 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structures of the phage Sf6 large terminase provide new insights into DNA translocation and cleavage.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IFE
 | | Crystal Structure of the large terminase subunit gp2 of bacterial virus Sf6 complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Gene 2 protein | | Authors: | Zhao, H, Christensen, T, Kamau, Y, Tang, L. | | Deposit date: | 2012-12-14 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of the phage Sf6 large terminase provide new insights into DNA translocation and cleavage.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IOX
 | | The structure of the herpes simplex virus DNA-packaging motor pUL15 C-terminal nuclease domain provides insights into cleavage of concatemeric viral genome precursors | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Selvarajan Sigamani, S, Zhao, H, Kamau, Y, Tang, L. | | Deposit date: | 2013-01-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.458 Å) | | Cite: | The Structure of the Herpes Simplex Virus DNA-Packaging Terminase pUL15 Nuclease Domain Suggests an Evolutionary Lineage among Eukaryotic and Prokaryotic Viruses.
J.Virol., 87, 2013
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