1J51
 
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE | | Descriptor: | 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... | | Authors: | Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene
J.BIOL.CHEM., 277, 2002
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7W33
 | | The crystal structure of human CtsL in complex with 14a | | Descriptor: | N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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7W34
 | | The crystal structure of human CtsL in complex with 14b | | Descriptor: | N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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7WIX
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIV
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with an AMP-PNP | | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIU
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB in inward-facing state | | Descriptor: | Mycobactin import ATP-binding/permease protein IrtA, Mycobactin import ATP-binding/permease protein IrtB | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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7WIW
 | | Cryo-EM structure of Mycobacterium tuberculosis irtAB complexed with ATP in an occluded conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ... | | Authors: | Zhang, B, Sun, S, Yang, H, Rao, Z. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
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1GIS
 | | A TRICHOSANTHIN(TCS) MUTANT(E85Q) COMPLEX STRUCTURE WITH 2'-DEOXY-ADENOSIN-5'-MONOPHOSPHATE | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, RIBOSOME-INACTIVATING PROTEIN ALPHA-TRICHOSANTHIN | | Authors: | Guo, Q, Liu, Y, Dong, Y, Rao, Z. | | Deposit date: | 2001-03-15 | | Release date: | 2003-06-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Substrate binding and catalysis in trichosanthin occur in different sites as revealed by the complex structures of several E85 mutants.
Protein Eng., 16, 2003
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1J48
 | | Crystal Structure of Apo-C1027 | | Descriptor: | Apoprotein of C1027 | | Authors: | Chen, Y, Li, J, Liu, Y, Bartlam, M, Gao, Y, Jin, L, Tang, H, Shao, Y, Zhen, Y, Rao, Z. | | Deposit date: | 2001-07-30 | | Release date: | 2003-06-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Apo-C1027 and Computer Modeling Analysis of C1027 Chromophore- Protein Complex
To be published
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1J4I
 | | crystal structure analysis of the FKBP12 complexed with 000308 small molecule | | Descriptor: | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID, FKBP12 | | Authors: | Li, P, Ding, Y, Wang, L, Wu, B, Shu, C, Li, S, Shen, B, Rao, Z. | | Deposit date: | 2001-09-30 | | Release date: | 2003-06-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and structure-based study of new potential FKBP12 inhibitors.
Biophys.J., 85, 2003
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1J04
 | | Structural mechanism of enzyme mistargeting in hereditary kidney stone disease in vitro | | Descriptor: | (AMINOOXY)ACETIC ACID, GLYCEROL, alanine--glyoxylate aminotransferase | | Authors: | Zhang, X, Djordjevic, S, Bartlam, M, Ye, S, Rao, Z, Danpure, C.J. | | Deposit date: | 2002-10-30 | | Release date: | 2003-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural implications of a G170R mutation of alanine:glyoxylate aminotransferase that is associated with peroxisome-to-mitochondrion mistargeting.
Acta Crystallogr.,Sect.F, 66, 2010
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2O4X
 | | Crystal structure of human P100 tudor domain | | Descriptor: | Staphylococcal nuclease domain-containing protein 1 | | Authors: | Shaw, N, Zhao, M, Cheng, C, Xu, H, Yang, J, Silvennoinen, O, Rao, Z, Wang, B.C, Liu, Z.J. | | Deposit date: | 2006-12-05 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human P100 tudor domain
To be Published
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2QTF
 | | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus | | Descriptor: | ACETATE ION, CADMIUM ION, GTP-binding protein, ... | | Authors: | Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J. | | Deposit date: | 2007-08-02 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
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2QTH
 | | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP | | Descriptor: | ACETATE ION, CADMIUM ION, GTP-binding protein, ... | | Authors: | Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J. | | Deposit date: | 2007-08-02 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
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2OIE
 | | Crystal structure of RS21-C6 core segment RSCUT | | Descriptor: | RS21-C6, SULFATE ION | | Authors: | Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z. | | Deposit date: | 2007-01-10 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
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2QZP
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8J5U
 | | Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide | | Descriptor: | Endogenous oligopeptide, Uncharacterized protein Rv1280c | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5S
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-catalytic intermediate state | | Descriptor: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5R
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the resting state | | Descriptor: | IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, Putative peptide transport permease protein Rv1283c, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5T
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the catalytic intermediate state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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8J5Q
 | | Cryo-EM structure of Mycobacterium tuberculosis OppABCD in the pre-translocation state | | Descriptor: | Endogenous oligopeptide, IRON/SULFUR CLUSTER, Putative peptide transport permease protein Rv1282c, ... | | Authors: | Yang, X, Hu, T, Zhang, B, Rao, Z. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | An oligopeptide permease, OppABCD, requires an iron-sulfur cluster domain for functionality.
Nat.Struct.Mol.Biol., 31, 2024
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3TKT
 | | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | | Deposit date: | 2011-08-29 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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8J57
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with bedaquiline(BDQ) | | Descriptor: | ATP synthase subunit a, ATP synthase subunit c, Bedaquiline | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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8J58
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in the apo-form | | Descriptor: | ATP synthase subunit a, ATP synthase subunit c | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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8J0S
 | | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with bedaquiline(BDQ) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | | Deposit date: | 2023-04-11 | | Release date: | 2024-05-22 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
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