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5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
Descriptor: Serine/threonine-protein kinase LMTK3
Authors:Roe, S.M, Owen, R.
Deposit date:2019-07-30
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
3QME
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BU of 3qme by Molmil
Crystal Structure of an Anopheles gambiae Odorant-binding Protein AgamOBP22a with Bound Odorant Cyclohexanone
Descriptor: AMMONIUM ION, CYCLOHEXANONE, Odorant binding protein (AGAP010409-PA)
Authors:Ren, H, Zhang, S.
Deposit date:2011-02-04
Release date:2011-02-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal Structures of an Anopheles gambiae Odorant-binding Protein AgamOBP22a and Complexes with Bound Odorants
To be Published
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
Descriptor: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
Authors:Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
Deposit date:2013-02-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
1NZY
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BU of 1nzy by Molmil
4-CHLOROBENZOYL COENZYME A DEHALOGENASE FROM PSEUDOMONAS SP. STRAIN CBS-3
Descriptor: 1,2-ETHANEDIOL, 4-CHLOROBENZOYL COENZYME A DEHALOGENASE, 4-HYDROXYBENZOYL COENZYME A, ...
Authors:Benning, M.M, Holden, H.M.
Deposit date:1996-04-02
Release date:1997-07-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of 4-chlorobenzoyl coenzyme A dehalogenase determined to 1.8 A resolution: an enzyme catalyst generated via adaptive mutation.
Biochemistry, 35, 1996
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
Descriptor: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-08-22
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
4K6H
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BU of 4k6h by Molmil
Crystal structure of CALB mutant L278M from Candida antarctica
Descriptor: 1,2-ETHANEDIOL, Lipase B
Authors:An, J, Xie, Y, Feng, Y, Wu, G.
Deposit date:2013-04-15
Release date:2014-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
5FN3
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BU of 5fn3 by Molmil
Cryo-EM structure of gamma secretase in class 1 of the apo- state ensemble
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
4K5Q
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BU of 4k5q by Molmil
Crystal structure of CALB mutant DGLM from Candida antarctica
Descriptor: Lipase B
Authors:An, J, Xie, Y, Feng, Y, Wu, G.
Deposit date:2013-04-15
Release date:2014-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
4K6K
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BU of 4k6k by Molmil
Crystal structure of CALB mutant D223G from Candida antarctica
Descriptor: 1,2-ETHANEDIOL, Lipase B
Authors:An, J, Xie, Y, Feng, Y, Wu, G.
Deposit date:2013-04-16
Release date:2014-01-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
4K6G
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BU of 4k6g by Molmil
Crystal structure of CALB from Candida antarctica
Descriptor: 1,2-ETHANEDIOL, Lipase B
Authors:An, J, Xie, Y, Feng, Y, Wu, G.
Deposit date:2013-04-15
Release date:2014-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
5WTW
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BU of 5wtw by Molmil
Hepatitis B virus core protein Y132A mutant in P 41 21 2 Space Group
Descriptor: CHLORIDE ION, Core protein
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2016-12-15
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
5WRE
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BU of 5wre by Molmil
Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01)
Descriptor: (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2016-12-01
Release date:2017-02-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
6O6Y
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BU of 6o6y by Molmil
Crystal structure of Csm6 in complex with cyclic-tetraadenylates (cA4) by cocrystallization of Csm6 and cA4
Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O6S
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BU of 6o6s by Molmil
Crystal structure of Apo Csm6
Descriptor: Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6OV0
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BU of 6ov0 by Molmil
Crystal structure of Csm6 in complex with A4>p by soaking A4>p into Csm6
Descriptor: RNA (5'-R(*AP*AP*AP*(A23))-3'), Uncharacterized protein
Authors:Jia, N, Patel, D.J.
Deposit date:2019-05-06
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
4QS4
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BU of 4qs4 by Molmil
Crystal Structure of CofB from Enterotoxigenic Escherichia coli
Descriptor: CofB, GLYCEROL, SULFATE ION
Authors:Kolappan, S, Craig, L.
Deposit date:2014-07-02
Release date:2015-06-03
Last modified:2015-11-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Minor Pilin CofB, the Initiator of CFA/III Pilus Assembly in Enterotoxigenic Escherichia coli.
J.Biol.Chem., 290, 2015
6O6X
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BU of 6o6x by Molmil
Crystal structure of Csm6 W14A/E337A mutant in complex with cA4 by cocrystallization
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O6V
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BU of 6o6v by Molmil
Crystal structure of Csm6 in complex with cA4 by soaking cA4 into Csm6
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O70
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BU of 6o70 by Molmil
Crystal structure of Csm6 H132A mutant in complex with cA4 by cocrystallization of cA4 and Csm6 H132A mutant
Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
6O6Z
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BU of 6o6z by Molmil
Crystal structure of Csm6 H381A in complex with cA4 by cocrystallization of cA4 and Csm6
Descriptor: 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
2VAY
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BU of 2vay by Molmil
Calmodulin complexed with CaV1.1 IQ peptide
Descriptor: CALCIUM ION, CALMODULIN, CHLORIDE ION, ...
Authors:Halling, D.B, Black, D.J, Pedersen, S.E, Hamilton, S.L.
Deposit date:2007-09-05
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Determinants in Cav1 Channels that Regulate the Ca2+ Sensitivity of Bound Calmodulin.
J.Biol.Chem., 284, 2009
3G43
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BU of 3g43 by Molmil
Crystal structure of the calmodulin-bound Cav1.2 C-terminal regulatory domain dimer
Descriptor: CALCIUM ION, Calmodulin, Voltage-dependent L-type calcium channel subunit alpha-1C
Authors:Fallon, J.L, Quiocho, F.A.
Deposit date:2009-02-03
Release date:2009-03-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of dimeric cardiac L-type calcium channel regulatory domains bridged by Ca2+{middle dot}calmodulins.
Proc.Natl.Acad.Sci.USA, 106, 2009

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