2CI0
 
 | | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | | Descriptor: | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | | Deposit date: | 2006-03-16 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
|
|
2C7X
 | | Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-11-29 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
|
|
2CA0
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-12-15 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Yc-17-Bound Cytochrome P450 Pikc (Cyp107L1)
To be Published
|
|
2CD8
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M. | | Deposit date: | 2006-01-20 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
|
|
5B6O
 | | Crystal structure of MS8104 | | Descriptor: | 3C-like proteinase | | Authors: | Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2016-05-31 | | Release date: | 2016-06-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.202 Å) | | Cite: | SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
2C6H
 | | Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-11-09 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
|
|
6MN5
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Stogios, P.J, Evdokimova, E, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
|
|
2BPO
 | | Crystal structure of the yeast CPR triple mutant: D74G, Y75F, K78A. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Yermalitskaya, L.V, Kim, Y, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-04-21 | | Release date: | 2006-07-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Yeast Cpr Triple Mutant: D74G, Y75F, K78A.
To be Published
|
|
2BVJ
 | | Ligand-free structure of cytochrome P450 PikC (CYP107L1) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 281, 2006
|
|
2BF4
 | | A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductases. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2004-12-03 | | Release date: | 2006-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
|
|
6CSM
 | | Crystal structure of the natural light-gated anion channel GtACR1 | | Descriptor: | GtACR1, OLEIC ACID, RETINAL | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
|
|
2B2W
 | | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
|
|
2BN4
 | | A second FMN-binding site in yeast NADPH-cytochrome P450 reductase suggests a novel mechanism of electron transfer by diflavin reductase | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Podust, L.M, Lepesheva, G.I, Kim, Y, Yermalitskaya, L.V, Yermalitsky, V.N, Lamb, D.C, Kelly, S.L, Waterman, M.R. | | Deposit date: | 2005-03-18 | | Release date: | 2006-01-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A Second Fmn-Binding Site in Yeast Nadph-Cytochrome P450 Reductase Suggests a Mechanism of Electron Transfer by Diflavin Reductases.
Structure, 14, 2006
|
|
7F4U
 | | Cryo-EM structure of TELO2-TTI1-TTI2 complex | | Descriptor: | TELO2-interacting protein 1 homolog, TELO2-interacting protein 2, Telomere length regulation protein TEL2 homolog | | Authors: | Cho, Y, Kim, Y. | | Deposit date: | 2021-06-21 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the Human TELO2-TTI1-TTI2 Complex.
J.Mol.Biol., 434, 2022
|
|
6BLG
 | | Crystal Structure of Sugar Transaminase from Klebsiella pneumoniae Complexed with PLP | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Maltseva, N, Kim, Y, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-10 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal Structure of Sugar Transaminase from Klebsiella pneumoniae Complexed with PLP
To Be Published
|
|
6BIC
 | | 2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
|
|
6BIB
 | | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
|
|
6CSN
 | | Crystal structure of the designed light-gated anion channel iC++ at pH8.5 | | Descriptor: | CHLORIDE ION, OLEIC ACID, RETINAL, ... | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
|
|
6D35
 | | Crystal structure of Xenopus Smoothened in complex with cholesterol | | Descriptor: | CHOLESTEROL, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
|
|
2CIB
 | | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | | Descriptor: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | | Deposit date: | 2006-03-17 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
|
|
6CSO
 | | Crystal structure of the designed light-gated anion channel iC++ at pH6.5 | | Descriptor: | OLEIC ACID, RETINAL, iC++ | | Authors: | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | Deposit date: | 2018-03-21 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
|
|
6BID
 | | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | | Descriptor: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.
Proteins, 87, 2019
|
|
6D32
 | | Crystal structure of Xenopus Smoothened in complex with cyclopamine | | Descriptor: | Cyclopamine, Smoothened,Soluble cytochrome b562,Smoothened | | Authors: | Huang, P, Zheng, S, Kim, Y, Kruse, A.C, Salic, A. | | Deposit date: | 2018-04-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.751 Å) | | Cite: | Structural Basis of Smoothened Activation in Hedgehog Signaling.
Cell, 174, 2018
|
|
2B2T
 | | Tandem chromodomains of human CHD1 complexed with Histone H3 Tail containing trimethyllysine 4 and phosphothreonine 3 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1, Histone H3 tail | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
|
|
2B2Y
 | | Tandem chromodomains of human CHD1 | | Descriptor: | Chromodomain-helicase-DNA-binding protein 1 | | Authors: | Flanagan IV, J.F, Mi, L.-Z, Chruszcz, M, Cymborowski, M, Clines, K.L, Kim, Y, Minor, W, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2005-09-19 | | Release date: | 2005-12-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Double chromodomains cooperate to recognize the methylated histone H3 tail.
Nature, 438, 2005
|
|
