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6ABQ
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BU of 6abq by Molmil
Crystal structure of transcription factor from Listeria monocytogenes
Descriptor: CHLORIDE ION, PadR family transcriptional regulator
Authors:Lee, C, Hong, M.
Deposit date:2018-07-23
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism.
Plos One, 14, 2019
2A11
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BU of 2a11 by Molmil
Crystal Structure of Nuclease Domain of Ribonuclase III from Mycobacterium Tuberculosis
Descriptor: CALCIUM ION, Ribonuclease III
Authors:Akey, D.L, Berger, J.M, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2005-06-17
Release date:2005-07-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the nuclease domain of ribonuclease III from M. tuberculosis at 2.1 A
Protein Sci., 14, 2005
6C0H
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BU of 6c0h by Molmil
Lysinoalanine synthase, DurN, from duramycin biosynthesis bound to 1-Dha6Ala
Descriptor: GLN-DAL-CYS-ALA-PHE-GLY-PRO-PHE-DBB-PHE-VAL-CYS-BH2-GLY, Lysinoalanine synthase, POTASSIUM ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-12-31
Release date:2018-09-05
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-assisted enzymatic formation of lysinoalanine in duramycin.
Nat. Chem. Biol., 14, 2018
2A07
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BU of 2a07 by Molmil
Crystal Structure of Foxp2 bound Specifically to DNA.
Descriptor: 5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3', 5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3', Forkhead box protein P2, ...
Authors:Stroud, J.C, Wu, Y, Bates, D.L, Han, A, Nowick, K, Paabo, S, Tong, H, Chen, L.
Deposit date:2005-06-16
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Forkhead Domain of FOXP2 Bound to DNA.
Structure, 14, 2006
6BN9
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BU of 6bn9 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET70 PROTAC
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1,DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.382 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
6BNB
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BU of 6bnb by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET57 PROTAC
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Ishoey, M, He, Z, Zhang, T, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (6.343 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
2EFT
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BU of 2eft by Molmil
Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A (high concentration (1.7mM) soak)
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3, COENZYME A, METHANETHIOL, ...
Authors:Alhamadsheh, M.M, Musayev, F, Komissarov, A.A, Sachdeva, S, Wright, H.T, Scarsdale, N, Florova, G, Reynolds, K.A.
Deposit date:2007-02-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alkyl-CoA Disulfides as Inhibitors and Mechanistic Probes for FabH Enzymes
Chem.Biol., 14, 2007
6AL8
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BU of 6al8 by Molmil
Crystal structure HpiC1 Y101F/F138S
Descriptor: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
Deposit date:2017-08-07
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6BUP
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BU of 6bup by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with cyanuric acid
Descriptor: 1,3,5-triazine-2,4,6-triol, 1,3-PROPANDIOL, CALCIUM ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
2AJV
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BU of 2ajv by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine
Descriptor: Antibody 7A1 Fab', COCAINE
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
2AQ5
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BU of 2aq5 by Molmil
Crystal Structure of Murine Coronin-1
Descriptor: Coronin-1A
Authors:Appleton, B.A, Wu, P, Wiesmann, C.
Deposit date:2005-08-17
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of murine coronin-1: a regulator of actin cytoskeletal dynamics in lymphocytes.
Structure, 14, 2006
6BN7
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BU of 6bn7 by Molmil
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.
Descriptor: Bromodomain-containing protein 4, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, DeAngelo, S.L, Buckley, D, Bradner, J.E, Fischer, E.S.
Deposit date:2017-11-16
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Plasticity in binding confers selectivity in ligand-induced protein degradation.
Nat. Chem. Biol., 14, 2018
2B1U
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BU of 2b1u by Molmil
Solution structure of Calmodulin-like Skin Protein C terminal domain
Descriptor: Calmodulin-like protein 5
Authors:Babini, E, Bertini, I, Capozzi, F, Chirivino, E, Luchinat, C, Structural Proteomics in Europe (SPINE)
Deposit date:2005-09-16
Release date:2006-05-30
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A Structural and Dynamic Characterization of the EF-Hand Protein CLSP.
Structure, 14, 2006
2AJS
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BU of 2ajs by Molmil
Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Antibody 7A1 FAB', GLYCEROL, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJZ
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BU of 2ajz by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester
Descriptor: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AHO
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BU of 2aho by Molmil
Structure of the archaeal initiation factor eIF2 alpha-gamma heterodimer from Sulfolobus solfataricus complexed with GDPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Translation initiation factor 2 alpha subunit, ...
Authors:Yatime, L, Mechulam, Y, Blanquet, S, Schmitt, E.
Deposit date:2005-07-28
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Switch of the gamma Subunit in an Archaeal aIF2alphagamma Heterodimer
Structure, 14, 2006
2B1F
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BU of 2b1f by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
Descriptor: General control protein GCN4
Authors:Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
Deposit date:2005-09-15
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2I
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BU of 6b2i by Molmil
E45A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
2Q1J
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BU of 2q1j by Molmil
The discovery of glycine and related amino acid-based factor xa inhibitors
Descriptor: 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide, Activated factor Xa heavy chain (EC 3.4.21.6), CALCIUM ION, ...
Authors:Kohrt, J.T, Filipski, K.J, Cody, W.L, Bigge, C.F, Zhang, E, Finzel, B.C.
Deposit date:2007-05-24
Release date:2007-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Discovery of Glycine and Related Amino Acid-Based Factor Xa Inhibitors
BIOORG.MED.CHEM., 14, 2006
6BPU
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BU of 6bpu by Molmil
Crystal structure of ferrous form of the F2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor
Descriptor: Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-11-26
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
6BLH
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BU of 6blh by Molmil
RSV G central conserved region bound to Fab CB017.5
Descriptor: 1,2-ETHANEDIOL, Fab CB017.5 heavy chain, Fab CB017.5 light chain, ...
Authors:Jones, H.G, McLellan, J.S, Langedijk, J.P.
Deposit date:2017-11-10
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for recognition of the central conserved region of RSV G by neutralizing human antibodies.
PLoS Pathog., 14, 2018
6BUR
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BU of 6bur by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with barbituric acid
Descriptor: BARBITURIC ACID, CALCIUM ION, Cyanuric acid amidohydrolase, ...
Authors:Shi, K, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6C0G
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BU of 6c0g by Molmil
Lysinoalanine synthase, DurN, from duramycin biosynthesis
Descriptor: Lysinoalanine synthase, POTASSIUM ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-12-31
Release date:2018-09-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.145 Å)
Cite:Substrate-assisted enzymatic formation of lysinoalanine in duramycin.
Nat. Chem. Biol., 14, 2018

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