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5ZKC
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BU of 5zkc by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with NMS
Descriptor: Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2, N-methyl scopolamine
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
6C51
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BU of 6c51 by Molmil
Cross-alpha Amyloid-like Structure alphaAmL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
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
2RKL
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BU of 2rkl by Molmil
Crystal Structure of S.cerevisiae Vta1 C-terminal domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Vacuolar protein sorting-associated protein VTA1
Authors:Xiao, J, Xia, H, Zhou, J, Xu, Z.
Deposit date:2007-10-16
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of vta1 function in the multivesicular body sorting pathway.
Dev.Cell, 14, 2008
6C4Y
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BU of 6c4y by Molmil
Cross-alpha Amyloid-like Structure alphaAmG
Descriptor: Cross-alpha Amyloid-like Structure alphaAmG
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
6BUM
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BU of 6bum by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
Descriptor: 1,3-PROPANDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Shi, K, Cho, S, Seffernick, J.L, Bera, A, Wackett, L.P, Aihara, H.
Deposit date:2017-12-11
Release date:2019-06-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
2OKJ
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BU of 2okj by Molmil
The X-ray crystal structure of the 67kDa isoform of Glutamic Acid Decarboxylase (GAD67)
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID, GAMMA-AMINO-BUTANOIC ACID, Glutamate decarboxylase 1
Authors:Buckle, A.M, Fenalti, G, Law, R.H.P, Whisstock, J.C.
Deposit date:2007-01-17
Release date:2007-03-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GABA production by glutamic acid decarboxylase is regulated by a dynamic catalytic loop.
Nat.Struct.Mol.Biol., 14, 2007
6CDG
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BU of 6cdg by Molmil
GID4 fragment in complex with a peptide
Descriptor: Glucose-induced degradation protein 4 homolog, Hexapeptide PGLWKS, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
5ZK3
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BU of 5zk3 by Molmil
Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with QNB
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate, Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2
Authors:Suno, R, Maeda, S, Yasuda, S, Yamashita, K, Hirata, K, Horita, S, Tawaramoto, M.S, Tsujimoto, H, Murata, T, Kinoshita, M, Yamamoto, M, Kobilka, B.K, Iwata, S, Kobayashi, T.
Deposit date:2018-03-23
Release date:2018-11-21
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor
Nat. Chem. Biol., 14, 2018
6BGF
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BU of 6bgf by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-10-28
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat.Chem.Biol., 14, 2018
6BYN
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BU of 6byn by Molmil
Crystal structure of WDR5-Mb(S4) monobody complex
Descriptor: WD repeat-containing protein 5, WDR5-binding Monobody, Mb(S4)
Authors:Gupta, A, Koide, S.
Deposit date:2017-12-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Facile target validation in an animal model with intracellularly expressed monobodies.
Nat. Chem. Biol., 14, 2018
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
2Q2E
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BU of 2q2e by Molmil
Crystal structure of the topoisomerase VI holoenzyme from Methanosarcina mazei
Descriptor: Type 2 DNA topoisomerase 6 subunit B, Type II DNA topoisomerase VI subunit A
Authors:Corbett, K.D, Benedetti, P, Berger, J.M.
Deposit date:2007-05-28
Release date:2007-07-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4 Å)
Cite:Holoenzyme assembly and ATP-mediated conformational dynamics of topoisomerase VI
Nat.Struct.Mol.Biol., 14, 2007
2Q6J
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BU of 2q6j by Molmil
Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
Descriptor: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
Authors:Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
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
6CD8
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BU of 6cd8 by Molmil
Complex of GID4 fragment with short peptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRV, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6CDC
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BU of 6cdc by Molmil
GID4 in complex with a tetrapeptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide PGLW, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
6CDN
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BU of 6cdn by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2018-02-08
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
7KII
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BU of 7kii by Molmil
Muscovy duck circovirus Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site and Mn2+
Descriptor: ATP-dependent helicase Rep, CALCIUM ION, DNA (5'-D(*TP*AP*TP*TP*AP*TP*TP*AP*CP*C)-3'), ...
Authors:Tompkins, K.J, Gordon, W.R, Shi, K.
Deposit date:2020-10-23
Release date:2021-11-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Watson-Crick Base-Pairing Requirements for ssDNA Recognition and Processing in Replication-Initiating HUH Endonucleases.
Mbio, 14, 2023
7KIJ
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BU of 7kij by Molmil
Muscovy duck circovirus Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site
Descriptor: ATP-dependent helicase Rep, DNA (5'-D(*TP*AP*TP*TP*AP*TP*TP*AP*CP*C)-3'), GLYCEROL, ...
Authors:Tompkins, K.J, Gordon, W.R, Shi, K.
Deposit date:2020-10-23
Release date:2021-11-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Watson-Crick Base-Pairing Requirements for ssDNA Recognition and Processing in Replication-Initiating HUH Endonucleases.
Mbio, 14, 2023

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