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PDB: 1158 results

4OCZ
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BU of 4ocz by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
Descriptor: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
Deposit date:2014-01-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
4OAG
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BU of 4oag by Molmil
Crystal structure of the cytosolic domain of mouse MiD51 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Mitochondrial dynamic protein MID51, SULFATE ION
Authors:Loson, O.C, Kaiser, J.T, Chan, D.C.
Deposit date:2014-01-04
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Mitochondrial Fission Receptor MiD51 Requires ADP as a Cofactor.
Structure, 22, 2014
4UMV
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BU of 4umv by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE
Authors:Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
4PEK
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BU of 4pek by Molmil
Crystal structure of a computationally designed retro-aldolase, RA114.3
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
4PRF
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BU of 4prf by Molmil
A Second Look at the HDV Ribozyme Structure and Dynamics.
Descriptor: Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A
Authors:Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S.
Deposit date:2014-03-05
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:New tools provide a second look at HDV ribozyme structure, dynamics and cleavage.
Nucleic Acids Res., 42, 2014
4PMI
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BU of 4pmi by Molmil
Crystal structure of Rev and Rev-response-element RNA complex
Descriptor: PHOSPHATE ION, Protein Rev, Rev-Response-Element RNA
Authors:Jayaraman, B, Crosby, D.C, Homer, C, Ribeiro, I, Mavor, D, Frankel, A.D.
Deposit date:2014-05-21
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:RNA-directed remodeling of the HIV-1 protein Rev orchestrates assembly of the Rev-Rev response element complex.
Elife, 4, 2014
4PEJ
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BU of 4pej by Molmil
Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free)
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
4UMW
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BU of 4umw by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN E2.PI STATE
Descriptor: MAGNESIUM ION, TETRAFLUOROALUMINATE ION, ZINC-TRANSPORTING ATPASE
Authors:Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
4UMQ
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BU of 4umq by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMT
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BU of 4umt by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium, DIMETHYL SULFOXIDE, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
4UMU
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BU of 4umu by Molmil
Structure of MELK in complex with inhibitors
Descriptor: (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
4UMP
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BU of 4ump by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 3-(isoquinolin-7-yl)prop-2-yn-1-ol, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4UMR
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BU of 4umr by Molmil
Structure of MELK in complex with inhibitors
Descriptor: 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE
Authors:Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
4MRP
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BU of 4mrp by Molmil
Structure of a bacterial Atm1-family ABC transporter
Descriptor: ABC transporter related protein, GLUTATHIONE, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Lee, J.Y, Yang, J.G, Zhitnitsky, D, Lewinson, O, Rees, D.C.
Deposit date:2013-09-17
Release date:2014-03-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for heavy metal detoxification by an Atm1-type ABC exporter.
Science, 343, 2014
4NXP
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BU of 4nxp by Molmil
Crystal Structure of Free T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM)
Descriptor: T-lymphoma invasion and metastasis-inducing protein 1
Authors:Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J.
Deposit date:2013-12-09
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
4NPE
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BU of 4npe by Molmil
High-resolution structure of C domain of staphylococcal protein A at room temperature
Descriptor: Immunoglobulin G-binding protein A, THIOCYANATE ION, ZINC ION
Authors:Deis, L.N, Pemble IV, C.W, Oas, T.G, Richardson, J.S, Richardson, D.C.
Deposit date:2013-11-21
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Multiscale conformational heterogeneity in staphylococcal protein a: possible determinant of functional plasticity.
Structure, 22, 2014
4NXR
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BU of 4nxr by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ Domain Quadruple Mutant (QM) in Complex With Neurexin-1 Peptide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), Neurexin-2-beta Peptide, ...
Authors:Liu, X, Speckhard, D.C, Shepherd, T.R, Hengel, S.R, Fuentes, E.J.
Deposit date:2013-12-09
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct Roles for Conformational Dynamics in Protein-Ligand Interactions.
Structure, 24, 2016
4OAI
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BU of 4oai by Molmil
Crystal structure of the cytosolic domain of mouse MiD51 dimer mutant
Descriptor: Mitochondrial dynamic protein MID51, SULFATE ION
Authors:Loson, O.C, Kaiser, J.T, Chan, D.C.
Deposit date:2014-01-04
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Mitochondrial Fission Receptor MiD51 Requires ADP as a Cofactor.
Structure, 22, 2014
4QF1
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BU of 4qf1 by Molmil
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
Authors:Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F.
Deposit date:2014-05-19
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
4PKE
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BU of 4pke by Molmil
The structure of a conserved Piezo channel domain reveals a novel beta sandwich fold
Descriptor: PLATINUM (II) ION, Protein C10C5.1, isoform i
Authors:Kamajaya, A, Kaiser, J, Lee, J, Reid, M, Rees, D.C.
Deposit date:2014-05-14
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure of a Conserved Piezo Channel Domain Reveals a Topologically Distinct beta Sandwich Fold.
Structure, 22, 2014
4PMH
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BU of 4pmh by Molmil
The structure of rice weevil pectin methyl esterase
Descriptor: Pectinesterase
Authors:Stenkamp, R.E, Teller, D.C, Behnke, C.A, Reeck, G.R.
Deposit date:2014-05-21
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The structure of rice weevil pectin methylesterase.
Acta Crystallogr.,Sect.F, 70, 2014
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Descriptor: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
Deposit date:2006-06-27
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
2JZH
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BU of 2jzh by Molmil
structure of IIB domain of the mannose transporter of E. coli
Descriptor: PTS system mannose-specific EIIAB component
Authors:Komlosh, M, Williams Jr, D.C.
Deposit date:2008-01-08
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structures of Productive and Non-productive Complexes between the A and B Domains of the Cytoplasmic Subunit of the Mannose Transporter of the Escherichia coli Phosphotransferase System.
J.Biol.Chem., 283, 2008
6SXB
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BU of 6sxb by Molmil
XPF-ERCC1 Cryo-EM Structure, DNA-Bound form
Descriptor: DNA (5'-D(*TP*CP*AP*GP*CP*AP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*AP*GP*AP*TP*GP*CP*TP*GP*A)-3'), DNA excision repair protein ERCC-1, ...
Authors:Jones, M.L, Briggs, D.C, McDonald, N.Q.
Deposit date:2019-09-25
Release date:2020-03-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Cryo-EM structures of the XPF-ERCC1 endonuclease reveal how DNA-junction engagement disrupts an auto-inhibited conformation.
Nat Commun, 11, 2020
6ST2
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BU of 6st2 by Molmil
Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Descriptor: Affimer AF6, Bcl-2-like protein 1, SULFATE ION
Authors:Hobor, F, Miles, J.A, Trinh, C.H, Taylor, J, Tiede, C, Rowell, P.R, Jackson, B, Nadat, F, Kyle, H.F, Wicky, B.I.M, Clarke, J, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
Deposit date:2019-09-09
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Selective Affimers Recognise the BCL-2 Family Proteins BCL-x L and MCL-1 through Noncanonical Structural Motifs*.
Chembiochem, 22, 2021

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數據於2024-08-07公開中

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