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3PSY
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BU of 3psy by Molmil
Endothiapepsin in complex with an inhibitor based on the Gewald reaction
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
2Q6W
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BU of 2q6w by Molmil
The structure of HLA-DRA, DRB3*0101 (DR52a) with bound platelet integrin peptide associated with fetal and neonatal alloimmune thrombocytopenia
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB3-1 beta chain, ...
Authors:Parry, C.S.
Deposit date:2007-06-05
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystallographic Structure of the Human Leukocyte Antigen DRA, DRB3*0101: Models of a Directional Alloimmune Response and Autoimmunity
J.Mol.Biol., 371, 2007
6A6E
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BU of 6a6e by Molmil
Crystal structure of thermostable Cysteine desulfurase (FiSufS) from thermophilic Fervidobacterium Islandicum AW-1
Descriptor: CITRIC ACID, Cysteine desulfurase, DI(HYDROXYETHYL)ETHER, ...
Authors:Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H.
Deposit date:2018-06-27
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The sulfur formation system mediating extracellular cysteine-cystine recycling in Fervidobacterium islandicum AW-1 is associated with keratin degradation.
Microb Biotechnol, 2020
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
3FCY
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BU of 3fcy by Molmil
Crystal Structure of Acetyl Xylan Esterase 1 from Thermoanaerobacterium sp. JW/SL YS485
Descriptor: CALCIUM ION, Xylan esterase 1
Authors:Krastanova, I, Cassetta, A, Lamba, D.
Deposit date:2008-11-24
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure Analysis of Acetyl Xylan Esterase 1 from Thermoanaerobacterium sp. JW/SL YS485
To be Published
3QB4
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BU of 3qb4 by Molmil
Crystal structure of a TGF-beta ligand-receptor complex
Descriptor: Bone morphogenetic protein receptor type-1A, Growth/differentiation factor 5
Authors:Mueller, T.D, Nickel, J, Sebald, W.
Deposit date:2011-01-12
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:GDF-5 can act as a context-dependent BMP-2 antagonist.
Bmc Biol., 13, 2015
6AE2
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BU of 6ae2 by Molmil
Crystal structure of Csm3 of the type III-A CRISPR-Cas effector complex
Descriptor: Csm3
Authors:Numata, T.
Deposit date:2018-08-03
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal Structures of Csm2 and Csm3 in the Type III-A CRISPR-Cas Effector Complex.
J. Mol. Biol., 431, 2019
3OBQ
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BU of 3obq by Molmil
Crystal Structure of the Tsg101 UEV domain in complex with a human HRS PSAP peptide
Descriptor: Hepatocyte growth factor-regulated tyrosine kinase substrate, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
3OG4
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BU of 3og4 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P21212
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin 28 receptor, alpha (Interferon, ...
Authors:Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
Deposit date:2010-08-16
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
3OBX
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BU of 3obx by Molmil
Crystal structure of the Tsg101 UEV domain in complex with a HIV-1 Gag P7A mutant peptide
Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
6A2P
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BU of 6a2p by Molmil
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
3OC6
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BU of 3oc6 by Molmil
Crystal structure of 6-phosphogluconolactonase from mycobacterium smegmatis, apo form
Descriptor: 6-phosphogluconolactonase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3GPG
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BU of 3gpg by Molmil
Crystal structure of macro domain of Chikungunya virus
Descriptor: Non-structural protein 3
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
3GQC
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BU of 3gqc by Molmil
Structure of human Rev1-DNA-dNTP ternary complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*(DOC))-3', 5'-D(*TP*AP*AP*GP*GP*TP*AP*GP*GP*GP*GP*AP*GP*GP*AP*T)-3', ...
Authors:Swan, M.K, Aggarwal, A.K.
Deposit date:2009-03-24
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the human Rev1-DNA-dNTP ternary complex.
J.Mol.Biol., 390, 2009
3OBS
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BU of 3obs by Molmil
Crystal structure of Tsg101 UEV domain
Descriptor: Tumor susceptibility gene 101 protein
Authors:Im, Y.J, Hurley, J.H.
Deposit date:2010-08-09
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic and Functional Analysis of the ESCRT-I /HIV-1 Gag PTAP Interaction.
Structure, 18, 2010
3H0R
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BU of 3h0r by Molmil
Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINE, ...
Authors:Wu, J, Bu, W, Sheppard, K, Kitabatake, M, Soll, D, Smith, J.L.
Deposit date:2009-04-10
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
3H32
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BU of 3h32 by Molmil
Crystal structure of D-dimer from human fibrin complexed with Gly-His-Arg-Pro-Tyr-amide
Descriptor: CALCIUM ION, Fibrin B knob pentapeptide, Fibrinogen alpha chain, ...
Authors:Doolittle, R.F, Pandi, L.
Deposit date:2009-04-15
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Two families of synthetic peptides that enhance fibrin turbidity and delay fibrinolysis by different mechanisms.
Biochemistry, 48, 2009
3QK8
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BU of 3qk8 by Molmil
Crystal structure of enoyl-coA hydratase EchA15 from Mycobacterium marinum in complex with an unknown ligand
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase EchA15, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4C4S
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BU of 4c4s by Molmil
Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride
Descriptor: (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-09-09
Release date:2014-07-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
3QNS
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BU of 3qns by Molmil
DyPB from Rhodococcus jostii RHA1, crystal form 2
Descriptor: DyP Peroxidase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Grigg, J.C, Roberts, J.N, Singh, R, Eltis, L.D, Murphy, M.E.P.
Deposit date:2011-02-09
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Characterization of dye-decolorizing peroxidases from Rhodococcus jostii RHA1.
Biochemistry, 50, 2011
4BVE
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BU of 4bve by Molmil
CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THIOALKYLIMIDATE FORMED FROM THIO-ACETYL-LYSINE ACS2-PEPTIDE
Descriptor: 1,2-ETHANEDIOL, ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL, ...
Authors:Gertz, M, Weyand, M, Steegborn, C.
Deposit date:2013-06-25
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
3QIV
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BU of 3qiv by Molmil
Crystal structure of a putative short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
Descriptor: short-chain dehydrogenase or 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-27
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3Q8N
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BU of 3q8n by Molmil
Crystal structure of 4-aminobutyrate transaminase from Mycobacterium smegmatis
Descriptor: 4-aminobutyrate transaminase, 4-oxobutanoic acid
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6AHC
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BU of 6ahc by Molmil
Cryo-EM structure of aldehyde-alcohol dehydrogenase reveals a high-order helical architecture critical for its activity
Descriptor: Aldehyde-alcohol dehydrogenase
Authors:Kim, G, Song, J.J.
Deposit date:2018-08-17
Release date:2019-08-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Aldehyde-alcohol dehydrogenase forms a high-order spirosome architecture critical for its activity.
Nat Commun, 10, 2019
5ZYO
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BU of 5zyo by Molmil
Crystal Structure of domain-swapped Circular-Permuted YbeA (CP74) from Escherichia coli
Descriptor: Ribosomal RNA large subunit methyltransferase H
Authors:Ko, K.T, Huang, K.F, Lyu, P.C, Hsu, S.T.D.
Deposit date:2018-05-26
Release date:2019-05-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Untying a Knotted SPOUT RNA Methyltransferase by Circular Permutation Results in a Domain-Swapped Dimer.
Structure, 27, 2019

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数据于2024-07-17公开中

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