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6KZ3
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BU of 6kz3 by Molmil
YebT domain1-4
Descriptor: Intermembrane transport protein YebT
Authors:Wang, H.W, Liu, C, Zhang, L.
Deposit date:2019-09-23
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structure of a Bacterial Lipid Transporter YebT.
J.Mol.Biol., 432, 2020
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
Deposit date:2014-11-26
Release date:2015-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
4FZO
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BU of 4fzo by Molmil
Crystal Structure of the apo-form uranyl binding protein
Descriptor: uranyl binding protein
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-07-06
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
4FZP
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BU of 4fzp by Molmil
Crystal Structure of the uranyl binding protein complexed with uranyl
Descriptor: URANYL (VI) ION, uranyl binding protein
Authors:Zhou, L, Zhang, L, He, C.
Deposit date:2012-07-06
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A protein engineered to bind uranyl selectively and with femtomolar affinity.
Nat Chem, 6, 2014
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
Authors:Ma, Q, Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
3VPN
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BU of 3vpn by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human
to be published
1QCR
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BU of 1qcr by Molmil
CRYSTAL STRUCTURE OF BOVINE MITOCHONDRIAL CYTOCHROME BC1 COMPLEX, ALPHA CARBON ATOMS ONLY
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, UBIQUINOL CYTOCHROME C OXIDOREDUCTASE
Authors:Xia, D, Yu, C.A, Kim, H, Xia, J.Z, Kachurin, A, Zhang, L, Yu, L, Deisenhofer, J.
Deposit date:1997-05-17
Release date:1998-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the cytochrome bc1 complex from bovine heart mitochondria.
Science, 277, 1997
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
3VPO
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BU of 3vpo by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human
to be published
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
1L0L
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BU of 1l0l by Molmil
structure of bovine mitochondrial cytochrome bc1 complex with a bound fungicide famoxadone
Descriptor: Cytochrome B, Cytochrome c1, heme protein, ...
Authors:Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D.
Deposit date:2002-02-11
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition
Biochemistry, 41, 2003
1L0N
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BU of 1l0n by Molmil
native structure of bovine mitochondrial cytochrome bc1 complex
Descriptor: Cytochrome B, Cytochrome c1, heme protein, ...
Authors:Gao, X, Wen, X, Yu, C.A, Esser, L, Tsao, S, Quinn, B, Zhang, L, Yu, L, Xia, D.
Deposit date:2002-02-11
Release date:2003-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Famoxadone: The Role of Aromatic-Aromatic Interaction in Inhibition
Biochemistry, 41, 2003
1HWT
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BU of 1hwt by Molmil
STRUCTURE OF A HAP1/DNA COMPLEX REVEALS DRAMATICALLY ASYMMETRIC DNA BINDING BY A HOMODIMERIC PROTEIN
Descriptor: DNA (5'-D(*GP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*C)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ...
Authors:King, D.A, Zhang, L, Guarente, L, Marmorstein, R.
Deposit date:1998-09-17
Release date:1999-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a HAP1-DNA complex reveals dramatically asymmetric DNA binding by a homodimeric protein.
Nat.Struct.Biol., 6, 1999
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
Descriptor: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Fu, L, Peng, H, Zhang, L, Ouyang, L.
Deposit date:2015-12-30
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
1NYJ
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BU of 1nyj by Molmil
The closed state structure of M2 protein H+ channel by solid state NMR spectroscopy
Descriptor: Matrix protein M2
Authors:Nishimura, K, Kim, S, Zhang, L, Cross, T.A.
Deposit date:2003-02-12
Release date:2003-03-25
Last modified:2024-05-22
Method:SOLID-STATE NMR
Cite:The closed state of a H+ channel helical bundle combining precise orientational and distance restraints from solid state NMR
Biochemistry, 41, 2002
6AHF
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BU of 6ahf by Molmil
CryoEM Reconstruction of Hsp104 N728A Hexamer
Descriptor: Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Zhang, X, Zhang, L, Zhang, S.
Deposit date:2018-08-17
Release date:2019-02-13
Last modified:2019-04-10
Method:ELECTRON MICROSCOPY (6.78 Å)
Cite:Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity.
J. Biol. Chem., 294, 2019
4MZ7
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BU of 4mz7 by Molmil
Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F.
Deposit date:2013-09-29
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Nat Commun, 4, 2013
3V35
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BU of 3v35 by Molmil
Aldose reductase complexed with a nitro compound
Descriptor: 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, Aldose reductase, DIMETHYLFORMAMIDE, ...
Authors:Zheng, X, Zhang, L, Chen, Y, Luo, H, Hu, X.
Deposit date:2011-12-13
Release date:2012-08-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
1EZ0
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BU of 1ez0 by Molmil
CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI.
Descriptor: ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A.
Deposit date:2000-05-09
Release date:2000-05-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
6EBA
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BU of 6eba by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation
Descriptor: Major facilitator family transporter
Authors:Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
Deposit date:2018-08-06
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.812 Å)
Cite:Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019
5XPV
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BU of 5xpv by Molmil
Structure of the V domain of amphioxus IgVJ-C2
Descriptor: amphioxus IgVJ-C2
Authors:Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
Deposit date:2017-06-05
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
5XPW
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BU of 5xpw by Molmil
Structure of amphioxus IgVJ-C2 molecule
Descriptor: amphioxus IgVJ-C2
Authors:Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C.
Deposit date:2017-06-05
Release date:2018-04-18
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
6E8J
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BU of 6e8j by Molmil
Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Occupied Conformation
Descriptor: Major facilitator family transporter
Authors:Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (3.091 Å)
Cite:Crystal structure of a bacterial homolog to human lysosomal transporter, spinster
Sci Bull (Beijing), 64, 2019

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