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3X2W
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BU of 3x2w by Molmil
Michaelis complex of cAMP-dependent Protein Kinase Catalytic Subunit
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3X2V
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BU of 3x2v by Molmil
Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
3X2U
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BU of 3x2u by Molmil
Michaelis-like initial complex of cAMP-dependent Protein Kinase Catalytic Subunit.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Substrate Peptide, ...
Authors:Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation.
Structure, 23, 2015
5YRS
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BU of 5yrs by Molmil
X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate
Descriptor: PROTEASE, RT-RH oligopeprtide
Authors:Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V.
Deposit date:2017-11-10
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate.
J. Am. Chem. Soc., 132, 2010
7L3L
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BU of 7l3l by Molmil
Structure of TRAF5 and TRAF6 RING Hetero dimer
Descriptor: TNF receptor-associated factor 5, TNF receptor-associated factor 6, ZINC ION
Authors:Das, A, Middleton, A.J, Padala, P, Day, C.L.
Deposit date:2020-12-17
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure and ubiquitin binding properties of TRAF RING heterodimers.
J.Mol.Biol., 2021
5DN7
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BU of 5dn7 by Molmil
Crescerin uses a TOG domain array to regulate microtubules in the primary cilium
Descriptor: Protein FAM179B
Authors:Das, A, Dickinson, D.J, Wood, C.C, Goldstein, B, Slep, K.C.
Deposit date:2015-09-09
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crescerin uses a TOG domain array to regulate microtubules in the primary cilium.
Mol.Biol.Cell, 26, 2015
6WC0
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BU of 6wc0 by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNTC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA (30-MER), ...
Authors:Li, H, Das, A.
Deposit date:2020-03-28
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
6KMP
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BU of 6kmp by Molmil
100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
Descriptor: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, Protease
Authors:Das, A, Kovalevsky, A.
Deposit date:2019-07-31
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
6WBR
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BU of 6wbr by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNCC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family,CRISPR-associated endonuclease, Csn1 family, ...
Authors:Li, H, Das, A.
Deposit date:2020-03-27
Release date:2020-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
2NPH
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BU of 2nph by Molmil
Crystal structure of HIV1 protease in situ product complex
Descriptor: PROTEASE RETROPEPSIN, pentapeptide fragment, tetrapeptide fragment
Authors:Hosur, M.V, Das, A, Prashar, V.
Deposit date:2006-10-27
Release date:2006-12-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of HIV-1 protease in situ product complex and observation of a low-barrier hydrogen bond between catalytic aspartates
Proc.Natl.Acad.Sci.Usa, 103, 2006
4O22
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BU of 4o22 by Molmil
Binary complex of metal-free PKAc with SP20.
Descriptor: Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha.
Authors:Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S.
Deposit date:2013-12-16
Release date:2014-05-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4O21
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BU of 4o21 by Molmil
Product complex of metal-free PKAc, ATP-gamma-S and SP20.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.
Deposit date:2013-12-16
Release date:2014-05-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
8D2L
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BU of 8d2l by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8D2K
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BU of 8d2k by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8D2Q
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BU of 8d2q by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 1)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8D2N
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BU of 8d2n by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Pre-cleavage)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8D2P
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BU of 8d2p by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Target bound)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA target strand (5'-D(P*CP*CP*AP*GP*GP*AP*TP*CP*TP*TP*GP*CP*CP*AP*TP*CP*CP*TP*AP*CP*CP*TP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8D2O
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BU of 8d2o by Molmil
Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 2)
Descriptor: CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ...
Authors:Rai, J, Das, A, Li, H.
Deposit date:2022-05-30
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Coupled catalytic states and the role of metal coordination in Cas9
Nat Catal, 6, 2023
8FAI
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BU of 8fai by Molmil
Cryo-EM structure of the Agrobacterium T-pilus
Descriptor: (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate, Protein virB2
Authors:Kreida, S, Narita, A, Johnson, M.D, Tocheva, E.I, Das, A, Jensen, G.J, Ghosal, D.
Deposit date:2022-11-27
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structure of the Agrobacterium tumefaciens T4SS-associated T-pilus reveals stoichiometric protein-phospholipid assembly.
Structure, 31, 2023
4XW6
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BU of 4xw6 by Molmil
X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4XW5
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BU of 4xw5 by Molmil
X-ray structure of PKAc with ATP, CP20, calcium ions
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
4XW4
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BU of 4xw4 by Molmil
X-ray structure of PKAc with AMPPNP, SP20, calcium ions
Descriptor: CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
Deposit date:2015-01-28
Release date:2015-05-06
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
6LFH
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BU of 6lfh by Molmil
X-ray crystal structure of chemically synthesized human lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Kar, A, Das, A, Mandal, K.
Deposit date:2019-12-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Efficient Chemical Protein Synthesis using Fmoc-Masked N-Terminal Cysteine in Peptide Thioester Segments.
Angew.Chem.Int.Ed.Engl., 59, 2020
6PU8
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BU of 6pu8 by Molmil
Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease
Authors:Kovalevsky, A, Das, A.
Deposit date:2019-07-17
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
6PTP
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BU of 6ptp by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
Descriptor: HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
Authors:Kovalevsky, A, Das, A.
Deposit date:2019-07-16
Release date:2020-06-10
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020

 

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