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PDB: 467 results

4GYS
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BU of 4gys by Molmil
Granulibacter bethesdensis allophanate hydrolase co-crystallized with malonate
Descriptor: Allophanate hydrolase, MALONATE ION
Authors:Lin, Y, St Maurice, M.
Deposit date:2012-09-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:The Structure of Allophanate Hydrolase from Granulibacter bethesdensis Provides Insights into Substrate Specificity in the Amidase Signature Family.
Biochemistry, 52, 2013
4GYR
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BU of 4gyr by Molmil
Granulibacter bethesdensis allophanate hydrolase apo
Descriptor: Allophanate hydrolase
Authors:Lin, Y, St Maurice, M.
Deposit date:2012-09-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structure of Allophanate Hydrolase from Granulibacter bethesdensis Provides Insights into Substrate Specificity in the Amidase Signature Family.
Biochemistry, 52, 2013
8GRZ
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BU of 8grz by Molmil
X-ray crystal structure of V71C human neuroglobin mutant
Descriptor: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W.
Deposit date:2022-09-03
Release date:2023-09-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystal structure of V71C human neuroglobin mutant
To Be Published
8FPW
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BU of 8fpw by Molmil
Crystal structure of tumor related RhoA mutant A161V in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
8FPX
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BU of 8fpx by Molmil
Crystal structure of tumor related RhoA mutant A161P in complex with GDP
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2023-01-05
Release date:2024-06-05
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Tumor-derived RHOA mutants interact with effectors in the GDP-bound state.
Nat Commun, 15, 2024
9JKQ
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BU of 9jkq by Molmil
Cryo-EM structure of the METH-bound hTAAR1-Gs complex
Descriptor: (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Lin, Y, Wang, J, Shi, F.
Deposit date:2024-09-16
Release date:2024-10-16
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Molecular Mechanisms of Methamphetamine-Induced Addiction via TAAR1 Activation.
J.Med.Chem., 67, 2024
6NIM
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BU of 6nim by Molmil
Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
Descriptor: Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ...
Authors:Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC)
Deposit date:2018-12-29
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine
to be published
6NP7
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BU of 6np7 by Molmil
Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
Descriptor: Bromodomain factor 2 protein
Authors:Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC)
Deposit date:2019-01-17
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20)
to be published
6NEZ
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BU of 6nez by Molmil
Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
Descriptor: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole, UNKNOWN ATOM OR ION, Uncharacterized protein
Authors:Lin, Y.H, Dong, A, Tempel, W, McAuley, J, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R.J, Structural Genomics Consortium (SGC)
Deposit date:2018-12-18
Release date:2019-01-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trypanosoma brucei - BDF5, Tb427tmp.01.5000 A, solved with PF-CBP1
to be published
6MO1
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BU of 6mo1 by Molmil
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Descriptor: 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine, FLAVIVIRUS_NS2B/Peptidase S7
Authors:Lin, Y.-L, Hua, Y, Nie, S, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y.
Deposit date:2018-10-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
6MO2
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Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Descriptor: 1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7
Authors:Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y.
Deposit date:2018-10-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J.Am.Chem.Soc., 141, 2019
3M3A
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BU of 3m3a by Molmil
The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Cu(II)-I107E FeBMb (Cu(II) binding to FeB site)
Descriptor: COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y.
Deposit date:2010-03-08
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M39
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BU of 3m39 by Molmil
The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Fe(II)-I107E FeBMb (Fe(II) binding to FeB site)
Descriptor: FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y.
Deposit date:2010-03-08
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M38
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BU of 3m38 by Molmil
The roles of Glutamates and Metal ions in a rationally designed nitric oxide reductase based on myoglobin: I107E FeBMb (No metal ion binding to FeB site)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y.
Deposit date:2010-03-08
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin.
Proc.Natl.Acad.Sci.USA, 107, 2010
6MO0
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BU of 6mo0 by Molmil
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Descriptor: 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine, FLAVIVIRUS_NS2B/Peptidase S7
Authors:Lin, Y.-L, Nie, S, Hua, Y, Wu, J, Wu, F, Huo, T, Yao, Y, Song, Y.
Deposit date:2018-10-03
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.
J. Am. Chem. Soc., 141, 2019
3M3B
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BU of 3m3b by Molmil
The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Zn(II)-I107E FeBMb (Zn(II) binding to FeB site)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION
Authors:Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y.
Deposit date:2010-03-08
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MN0
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BU of 3mn0 by Molmil
Introducing a 2-His-1-Glu Non-Heme Iron Center into Myoglobin confers Nitric Oxide Reductase activity: Cu(II)-CN-FeBMb(-His) form
Descriptor: COPPER (II) ION, CYANIDE ION, Myoglobin, ...
Authors:Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Lei, L, Robinson, H, Lu, Y.
Deposit date:2010-04-20
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Introducing a 2-his-1-glu nonheme iron center into myoglobin confers nitric oxide reductase activity.
J.Am.Chem.Soc., 132, 2010
5DV5
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BU of 5dv5 by Molmil
The fatty acid-responsive FadR repressor of Vibrio alginolyticus complex with Palmitoyl-CoA
Descriptor: GntR family transcriptional regulator, Palmitoyl-CoA
Authors:Lin, Y, Li, D.F, Feng, Y.J.
Deposit date:2015-09-21
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Snapshort of Vibrio FadR-ligand complex structure reveals a new mechanism for bacterial fatty acid sensing
To Be Published
5K29
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BU of 5k29 by Molmil
Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
Descriptor: UNKNOWN ATOM OR ION, uncharacterized protein BDF5
Authors:Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2016-05-18
Release date:2016-07-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000)
To Be Published
6JP1
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BU of 6jp1 by Molmil
An X-ray structure of met sperm whale F43Y/T67R myoglobin with Tyr-heme double cross-links
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.W, Yuan, H.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Unique Tyr-heme double cross-links in F43Y/T67R myoglobin: an artificial enzyme with a peroxidase activity comparable to that of native peroxidases.
Chem.Commun.(Camb.), 55, 2019
5GCN
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BU of 5gcn by Molmil
CATALYTIC DOMAIN OF TETRAHYMENA GCN5 HISTONE ACETYLTRANSFERASE IN COMPLEX WITH COENZYME A
Descriptor: COENZYME A, HISTONE ACETYLTRANSFERASE GCN5
Authors:Lin, Y, Fletcher, C.M, Zhou, J, Allis, C.D, Wagner, G.
Deposit date:1999-03-24
Release date:1999-07-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the catalytic domain of GCN5 histone acetyltransferase bound to coenzyme A
Nature, 400, 1999
4QAU
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BU of 4qau by Molmil
Crystal structure of F43Y mutant of sperm whale myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y, Tan, X, Li, W.
Deposit date:2014-05-06
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-translational Modification of Heme Proteins
Chembiochem, 16, 2015
5XGF
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BU of 5xgf by Molmil
The fatty acid-responsive FadR repressor of Vibrio alginolyticus
Descriptor: Fatty acid metabolism regulator protein, NICKEL (II) ION
Authors:Lin, Y, Li, D.F, Feng, Y.J.
Deposit date:2017-04-13
Release date:2017-05-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Snapshort of Vibrio FadR-ligand complex structure reveals a new mechanism for bacterial fatty acid sensing
To Be Published
5TCM
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BU of 5tcm by Molmil
First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
Descriptor: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein
Authors:Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-09-15
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
8Z95
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BU of 8z95 by Molmil
Humanized anti-PEG h6.3 Fab in complex with PEG
Descriptor: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Heavy chain of Anti-PEG antibody h6-3 Fab fragment, ISOPROPYL ALCOHOL, ...
Authors:Lin, Y.C, Chang, C.Y, Su, Y.C.
Deposit date:2024-04-22
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:pH-Responsive Polyethylene Glycol Engagers for Enhanced Brain Delivery of PEGylated Nanomedicine to Treat Glioblastoma.
Acs Nano, 19, 2025

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