4UAI
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![BU of 4uai by Molmil](/molmil-images/mine/4uai) | Crystal structure of CXCL12 in complex with inhibitor | Descriptor: | 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1 | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2014-08-09 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine. J.Med.Chem., 57, 2014
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7UZW
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![BU of 7uzw by Molmil](/molmil-images/mine/7uzw) | Staphylococcus epidermidis RP62a CRISPR effector subcomplex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZX
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![BU of 7uzx by Molmil](/molmil-images/mine/7uzx) | Staphylococcus epidermidis RP62a CRISPR effector subcomplex with non-self target RNA bound | Descriptor: | CRISPR non-self RNA target, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V01
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![BU of 7v01 by Molmil](/molmil-images/mine/7v01) | Staphylococcus epidermidis RP62a CRISPR short effector complex with self RNA target and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZY
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![BU of 7uzy by Molmil](/molmil-images/mine/7uzy) | Staphylococcus epidermidis RP62A CRISPR effector complex with non-self target RNA 2 | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.05 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V02
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![BU of 7v02 by Molmil](/molmil-images/mine/7v02) | Staphylococcus epidermidis RP62A CRISPR short effector complex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.97 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7UZZ
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![BU of 7uzz by Molmil](/molmil-images/mine/7uzz) | Staphylococcus epidermidis RP62a CRISPR tall effector complex | Descriptor: | CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, CRISPR system Cms protein Csm4, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (4.45 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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7V00
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![BU of 7v00 by Molmil](/molmil-images/mine/7v00) | Staphylococcus epidermidis RP62a CRISPR tall effector complex with bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm2, ... | Authors: | Smith, E.M, Ferrell, S.H, Tokars, V.L, Mondragon, A. | Deposit date: | 2022-05-09 | Release date: | 2022-07-06 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structures of an active type III-A CRISPR effector complex. Structure, 30, 2022
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5DG3
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![BU of 5dg3 by Molmil](/molmil-images/mine/5dg3) | |
5DEP
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![BU of 5dep by Molmil](/molmil-images/mine/5dep) | Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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5DEM
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![BU of 5dem by Molmil](/molmil-images/mine/5dem) | Structure of Pseudomonas aeruginosa LpxA | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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1C5G
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![BU of 1c5g by Molmil](/molmil-images/mine/1c5g) | PLASMINOGEN ACTIVATOR INHIBITOR-1 | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | Authors: | Goldsmith, E.J. | Deposit date: | 1999-12-07 | Release date: | 1999-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering of plasminogen activator inhibitor-1 to reduce the rate of latency transition. Nat.Struct.Biol., 2, 1995
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5EKI
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![BU of 5eki by Molmil](/molmil-images/mine/5eki) | |
5N0G
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![BU of 5n0g by Molmil](/molmil-images/mine/5n0g) | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | Descriptor: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | Authors: | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | Deposit date: | 2017-02-02 | Release date: | 2018-02-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants To Be Published
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8FE5
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![BU of 8fe5 by Molmil](/molmil-images/mine/8fe5) | Structure of J-PKAc chimera complexed with Aplithianine B | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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8FEC
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![BU of 8fec by Molmil](/molmil-images/mine/8fec) | Structure of J-PKAc chimera complexed with Aplithianine derivative | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-06 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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8FE2
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![BU of 8fe2 by Molmil](/molmil-images/mine/8fe2) | Structure of J-PKAc chimera complexed with Aplithianine A | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases. J.Nat.Prod., 86, 2023
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5WIR
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![BU of 5wir by Molmil](/molmil-images/mine/5wir) | Structure of the TRF1-TERB1 interface | Descriptor: | TERB1-TBM, Telomeric repeat-binding factor 1 | Authors: | Nandakumar, J, Pendlebury, D.F, Smith, E.M, Tesmer, V.M. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dissecting the telomere-inner nuclear membrane interface formed in meiosis. Nat. Struct. Mol. Biol., 24, 2017
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7UUW
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![BU of 7uuw by Molmil](/molmil-images/mine/7uuw) | Cryogenic electron microscopy 3D map of F-actin bound by the Actin Binding Domain of alpha-catenin ortholog, HMP1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | The nematode alpha-catenin ortholog, HMP1, has an extended alpha-helix when bound to actin filaments. J.Biol.Chem., 299, 2022
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7UXF
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![BU of 7uxf by Molmil](/molmil-images/mine/7uxf) | Cryogenic electron microscopy 3D map of F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-05-05 | Release date: | 2023-03-08 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments. Commun Biol, 6, 2023
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7UTJ
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![BU of 7utj by Molmil](/molmil-images/mine/7utj) | Cryogenic electron microscopy 3D map of F-actin bound by human dimeric alpha-catenin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | Deposit date: | 2022-04-27 | Release date: | 2023-03-08 | Last modified: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Distinct inter-domain interactions of dimeric versus monomeric alpha-catenin link cell junctions to filaments. Commun Biol, 6, 2023
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1T9P
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![BU of 1t9p by Molmil](/molmil-images/mine/1t9p) | Crystal Structure of V44A, G45P Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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1T9O
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![BU of 1t9o by Molmil](/molmil-images/mine/1t9o) | Crystal Structure of V44G Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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1T9Q
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![BU of 1t9q by Molmil](/molmil-images/mine/1t9q) | Crystal Structure of V44L Cp Rubredoxin | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Park, I.Y, Eidsness, M.K, Lin, I.J, Gebel, E.B, Youn, B, Harley, J.L, Machonkin, T.E, Frederick, R.O, Markley, J.L, Smith, E.T, Ichiye, T, Kang, C. | Deposit date: | 2004-05-18 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies of V44 mutants of Clostridium pasteurianum rubredoxin: Effects of side-chain size on reduction potential. Proteins, 57, 2004
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4LLW
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![BU of 4llw by Molmil](/molmil-images/mine/4llw) | Crystal structure of Pertuzumab Clambda Fab with variable domain redesign (VRD2) at 1.95A | Descriptor: | SULFATE ION, light chain Clambda, mutated Pertuzumab Fab heavy chain | Authors: | Pustilnik, A, Lewis, S.M, Wu, X, Sereno, A, Huang, F, Guntas, G, Leaver-Fay, A, Smith, E.M, Ho, C, Hansen-Estruch, C, Chamberlain, A.K, Truhlar, S.M, Kuhlman, B, Demarest, S.J, Atwell, S. | Deposit date: | 2013-07-09 | Release date: | 2014-01-29 | Last modified: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Generation of bispecific IgG antibodies by structure-based design of an orthogonal Fab interface. Nat.Biotechnol., 32, 2014
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