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7AM4
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BU of 7am4 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM7
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BU of 7am7 by Molmil
Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D
Descriptor: Eglin C fragment, GLYCEROL, SULFATE ION, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
1M19
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BU of 1m19 by Molmil
LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor: 3-AMINO-(DIMETHYLPROPYLAMINE), 4-AMINO-(1-METHYLIMIDAZOLE)-2-CARBOXYLIC ACID, 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID, ...
Authors:Suto, R.K, Edayathumangalam, R.S, White, C.L, Melander, C, Gottesfeld, J.M, Dervan, P.B, Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
6ZGJ
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BU of 6zgj by Molmil
GLIC pentameric ligand-gated ion channel, pH 5
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
1D89
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BU of 1d89 by Molmil
A DNA DODECAMER CONTAINING AN ADENINE TRACT CRYSTALLIZES IN A UNIQUE LATTICE AND EXHIBITS A NEW BEND
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*TP*TP*TP*TP*CP*GP*CP*G)-3')
Authors:DiGabriele, A.D, Steitz, T.A.
Deposit date:1992-07-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A DNA dodecamer containing an adenine tract crystallizes in a unique lattice and exhibits a new bend.
J.Mol.Biol., 231, 1993
1COR
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BU of 1cor by Molmil
INVESTIGATION OF THE SOLUTION CONFORMATION OF CYTOCHROME C-551 FROM PSEUDOMONAS STUTZERI
Descriptor: CYTOCHROME C551, HEME C
Authors:Cai, M, Bradford, E.G, Timkovich, R.
Deposit date:1993-06-23
Release date:1993-10-31
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Investigation of the solution conformation of cytochrome c-551 from Pseudomonas stutzeri.
Biochemistry, 31, 1992
4CGN
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BU of 4cgn by Molmil
Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor
Descriptor: 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
1HJX
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BU of 1hjx by Molmil
Ligand-induced signalling and conformational change of the 39 kD glycoprotein from human articular chondrocytes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3 LIKE PROTEIN 1, GLYCEROL, ...
Authors:Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
Deposit date:2003-02-28
Release date:2003-03-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes
J.Biol.Chem., 278, 2003
6ZGK
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BU of 6zgk by Molmil
GLIC pentameric ligand-gated ion channel, pH 3
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGD
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BU of 6zgd by Molmil
GLIC pentameric ligand-gated ion channel, pH 7
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
2C5C
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BU of 2c5c by Molmil
Shiga-like toxin 1 B subunit complexed with a bivalent inhibitor
Descriptor: DIETHYL PROPANE-1,3-DIYLBISCARBAMATE, SHIGA-LIKE TOXIN 1 B SUBUNIT, SULFATE ION, ...
Authors:Dodd, R.B, Read, R.J.
Deposit date:2005-10-26
Release date:2006-11-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Extensive Cross-Linking of the Shiga-Like Toxin 1 B Subunit by a Bivalent Ligand
To be Published
4LSK
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BU of 4lsk by Molmil
Crystal Structure of tRNA Proline (CGG) Bound to Codon CCG-G on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Maehigashi, T, Dunkle, J.A, Dunham, C.M.
Deposit date:2013-07-22
Release date:2014-08-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.48000622 Å)
Cite:Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
4LT8
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BU of 4lt8 by Molmil
Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-G on the Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Maehigashi, T, Dunkle, J.A, Dunham, C.M.
Deposit date:2013-07-23
Release date:2014-08-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.14000177 Å)
Cite:Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
4IIL
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BU of 4iil by Molmil
Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin
Descriptor: 1,2-ETHANEDIOL, Membrane lipoprotein TpN38(b), POTASSIUM ION, ...
Authors:Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-20
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evidence for an ABC-type riboflavin transporter system in pathogenic spirochetes.
MBio, 4, 2013
8GCQ
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BU of 8gcq by Molmil
SFX structure of oxidized cytochrome c oxidase at 2.38 Angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ishigami, I, Yeh, S.-R, Rousseau, D.L.
Deposit date:2023-03-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural insights into functional properties of the oxidized form of cytochrome c oxidase.
Nat Commun, 14, 2023
4CHE
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BU of 4che by Molmil
Crystal structure of the putative cap-binding domain of the PB2 subunit of Thogoto virus polymerase
Descriptor: POLYMERASE BASIC PROTEIN 2
Authors:Guilligay, D, Kadlec, J, Crepin, T, Lunardi, T, Bouvier, D, Kochs, G, Ruigrok, R.W.H, Cusack, S.
Deposit date:2013-12-01
Release date:2014-02-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative Structural and Functional Analysis of Orthomyxovirus Polymerase CAP-Snatching Domains.
Plos One, 9, 2014
6GL7
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BU of 6gl7 by Molmil
Neurturin-GFRa2-RET extracellular complex
Descriptor: GDNF family receptor alpha-2, Neurturin, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Bigalke, J.M, Aibara, S, Sandmark, J, Amunts, A.
Deposit date:2018-05-23
Release date:2019-08-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Cryo-EM structure of the activated RET signaling complex reveals the importance of its cysteine-rich domain.
Sci Adv, 5, 2019
6FT3
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BU of 6ft3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FSY
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BU of 6fsy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Conway, S.J, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
6FT4
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BU of 6ft4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 3-[[4,4-bis(fluoranyl)piperidin-1-yl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
Deposit date:2018-02-20
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.
Bioorg.Med.Chem., 26, 2018
4ZXG
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BU of 4zxg by Molmil
Ligandin binding site of PfGST
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Glutathione S-transferase, ...
Authors:Perbandt, M, Eberle, R, Betzel, C.
Deposit date:2015-05-20
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution structures of Plasmodium falciparum GST complexes provide novel insights into the dimer-tetramer transition and a novel ligand-binding site.
J.Struct.Biol., 191, 2015
7PQU
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BU of 7pqu by Molmil
Ligand-bound human Kv3.1 cryo-EM structure (Lu AG00563)
Descriptor: 1-(4-methylphenyl)sulfonyl-N-(1,3-oxazol-2-ylmethyl)pyrrole-3-carboxamide, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
Authors:Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
Deposit date:2021-09-20
Release date:2022-08-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
6WBO
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BU of 6wbo by Molmil
DNA-Ligase from Thermococcus gammatolerans
Descriptor: ADENOSINE MONOPHOSPHATE, DNA ligase, PHOSPHATE ION
Authors:Flores-Hernandez, E, Cardona-Felix, C, Miranda-Blancas, R, Rudino-Pinera, E.
Deposit date:2020-03-26
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:New structural DNA-Ligase from Thermococcus gammatolerans
To Be Published
6YBM
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BU of 6ybm by Molmil
Scaffold-ligand complex with ligand unmodelled.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Zacharchenko, T, Lian, L.Y.
Deposit date:2020-03-17
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Scaffold-ligand complex with ligand unmodelled.
To Be Published
6R2G
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BU of 6r2g by Molmil
Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34
Descriptor: Envelope glycoprotein gp160, PHOSPHATE ION, Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41
Authors:Camara-Artigas, A, Conejero-Lara, F, Jurado, S, Cano-Munoz, M, Morel, B.
Deposit date:2019-03-17
Release date:2019-07-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins.
J.Mol.Biol., 431, 2019

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