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8IEL
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BU of 8iel by Molmil
Cryo-EM structure of ATP13A2 in the E1-like state
Descriptor: Polyamine-transporting ATPase 13A2
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (5.65 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8I36
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BU of 8i36 by Molmil
Crystal structure of AtHPPD-Y18980 complex
Descriptor: 1,5-dimethyl-3-(naphthalen-1-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-16
Release date:2023-12-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Crystal structure of AtHPPD-Y18980 complex
To Be Published
5F0H
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BU of 5f0h by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution
Descriptor: 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR
Authors:Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2015-11-27
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
8IES
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BU of 8ies by Molmil
Cryo-EM structure of ATP13A2 in the E1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Last modified:2025-09-17
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8HZU
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BU of 8hzu by Molmil
Crystal structure of AtHPPD-XHD complex
Descriptor: (5R)-2-butanimidoyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-09
Release date:2023-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Crystal structure of AtHPPD-XHD complex
To Be Published
5F0N
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BU of 5f0n by Molmil
Cohesin subunit Pds5
Descriptor: cohesin subunit Pds5,cohesin subunit Pds5, cohesin subunit Pds5,KLTH0D07062p,cohesin subunit Pds5,cohesin subunit Pds5, cohesin subunit Pds5
Authors:Lee, B.-G, Jansma, M, Nasmyth, K, Lowe, J.
Deposit date:2015-11-27
Release date:2016-04-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the Cohesin Gatekeeper Pds5 and in Complex with Kleisin Scc1.
Cell Rep, 14, 2016
5F12
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BU of 5f12 by Molmil
WrbA in complex with FMN under crystallization conditions of WrbA-FMN-BQ structure (4YQE)
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone)
Authors:Degtjarik, O, Brynda, J, Ettrichova, O, Kuta Smatanova, I, Carey, J, Ettrich, R.
Deposit date:2015-11-29
Release date:2016-05-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
8I0Y
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BU of 8i0y by Molmil
Crystal structure of AtHPPD-Y191713 complex
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-11
Release date:2023-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structure of AtHPPD-Y191713 complex
To Be Published
1YVF
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BU of 1yvf by Molmil
Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145
Descriptor: (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J.
Deposit date:2005-02-15
Release date:2005-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15, 2005
8IEO
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BU of 8ieo by Molmil
Cryo-EM structure of ATP13A2 in the nominal E1P state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8I2S
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BU of 8i2s by Molmil
Crystal structure of AtHPPD-Y18979 complex
Descriptor: 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-15
Release date:2023-12-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Crystal structure of AtHPPD-Y18979 complex
To Be Published
8IDU
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BU of 8idu by Molmil
Crystal structure of substrate bound-form dehydroquinate dehydratase from Corynebacterium glutamicum
Descriptor: 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL, ...
Authors:Lee, C.H, Kim, S, Kim, K.-J.
Deposit date:2023-02-14
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Analysis of 3-Dehydroquinate Dehydratase from Corynebacterium glutamicum .
J Microbiol Biotechnol., 33, 2023
8IEK
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BU of 8iek by Molmil
Cryo-EM structure of ATP13A2 in the E1-ATP state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
1ZKO
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BU of 1zko by Molmil
Crystal structure of Glycine cleavage system H protein (tm0212) from Thermotoga maritima at 1.65 A resolution
Descriptor: Glycine cleavage system H protein, SODIUM ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-05-03
Release date:2005-05-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Glycine cleavage system H protein (tm0212) from Thermotoga maritima at 1.65 A resolution
To be published
8IGI
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BU of 8igi by Molmil
Crystal structure of HP1526 (XthA)- a base excision DNA repair protein in Helicobacter pylori
Descriptor: 1,3-BUTANEDIOL, Exodeoxyribonuclease (LexA), MANGANESE (II) ION
Authors:Dinh, T.T, Dao, O, Lee, K.H.
Deposit date:2023-02-20
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 663, 2023
5F1J
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BU of 5f1j by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution
Descriptor: 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR
Authors:Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2015-11-30
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
8I8X
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BU of 8i8x by Molmil
Cryo-EM Structure of OmpC3-MlaA-MlaC Complex in MSP2N2 Nanodiscs
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system binding protein MlaC, Intermembrane phospholipid transport system lipoprotein MlaA, ...
Authors:Yeow, J, Luo, M, Chng, S.S.
Deposit date:2023-02-05
Release date:2023-12-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular mechanism of phospholipid transport at the bacterial outer membrane interface.
Nat Commun, 14, 2023
8IIU
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BU of 8iiu by Molmil
anti-VEGF nanobody
Descriptor: SULFATE ION, anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-24
Release date:2023-12-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
8IJZ
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BU of 8ijz by Molmil
anti-VEGF mutant
Descriptor: anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-28
Release date:2023-12-27
Last modified:2024-10-09
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8I4F
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BU of 8i4f by Molmil
Omicron spike variant XBB with n3130v-Fc
Descriptor: Spike glycoprotein, n3130v-Fc
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
5F77
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BU of 5f77 by Molmil
Crystal structure of Mutant S12T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with Adenine
Descriptor: ADENINE, Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
1YXA
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BU of 1yxa by Molmil
Serpina3n, a murine orthologue of human antichymotrypsin
Descriptor: serine (or cysteine) proteinase inhibitor, clade A, member 3N
Authors:Horvath, A.J, Irving, J.A, Law, R.H, Rossjohn, J, Bottomley, S.P, Quinsey, N.S, Pike, R.N, Coughlin, P.B, Whisstock, J.C.
Deposit date:2005-02-20
Release date:2005-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The murine orthologue of human antichymotrypsin: a structural paradigm for clade A3 serpins.
J.Biol.Chem., 280, 2005
8IJS
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BU of 8ijs by Molmil
anti-VEGF nanobody mutant
Descriptor: ZINC ION, anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-28
Release date:2023-12-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8I4G
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BU of 8i4g by Molmil
Omicron spike variant BQ.1.1 with n3130v-Fc
Descriptor: Spike glycoprotein, n3130v-Fc
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023

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数据于2025-10-29公开中

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