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7UXD
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BU of 7uxd by Molmil
Crystal structure of APOBEC3G Catalytic domain complex with ssDNA containing 2'-deoxy Zebularine.
Descriptor: DNA (5'-D(*AP*AP*TP*CP*CP*(DDN)P*AP*AP*A)-3'), DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION
Authors:Maiti, A, Matsuo, H.
Deposit date:2022-05-05
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state.
Nat Commun, 13, 2022
8FWX
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BU of 8fwx by Molmil
Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
Descriptor: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
Authors:Ornelas, E, Knapp, M.S.
Deposit date:2023-01-23
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
3DSH
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BU of 3dsh by Molmil
Crystal structure of dimeric interferon regulatory factor 5 (IRF-5) transactivation domain
Descriptor: Interferon regulatory factor 5
Authors:Chen, W, Lam, S.S, Srinath, H, Jiang, Z, Correia, J.J, Schiffer, C, Fitzgerald, K.A, Lin, K, Royer Jr, W.E.
Deposit date:2008-07-12
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5.
Nat.Struct.Mol.Biol., 15, 2008
3EL5
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BU of 3el5 by Molmil
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:King, N, Prabu-Jeyabalan, M, Schiffer, C.
Deposit date:2008-09-20
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL9
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BU of 3el9 by Molmil
Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N, Schiffer, C.
Deposit date:2008-09-21
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL4
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BU of 3el4 by Molmil
Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
Authors:Prabu-Jeyabalan, M, King, N, Schiffer, C.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4OBG
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BU of 4obg by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBF
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BU of 4obf by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease Variant (D30N/N88D) in Complex with the p1-p6 substrate variant (S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBJ
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BU of 4obj by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBH
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BU of 4obh by Molmil
Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant (L449F)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBD
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BU of 4obd by Molmil
Crystal Structure of Nelfinavir-Resistant, Inactive HIV-1 Protease (D30N/N88D) in Complex with the p1-p6 substrate variant (L449F/S451N)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HIV-1 Protease, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
4OBK
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BU of 4obk by Molmil
Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Kolli, M.
Deposit date:2014-01-07
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:HIV-1 protease-substrate coevolution in nelfinavir resistance.
J.Virol., 88, 2014
6WMA
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BU of 6wma by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 7.6)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE- LIKE 3G, CHLORIDE ION, ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6WMC
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BU of 6wmc by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 9.0)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE-3 LIKE 3G, DNA (5'-D(P*CP*C)-3'), ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
6WKW
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BU of 6wkw by Molmil
EM structure of CtBP2 with a minimal dehydrogenase domain of CtBP2
Descriptor: C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Jecrois, A.M.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of CtBP2 confirms tetrameric architecture.
Structure, 29, 2021
6WMB
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BU of 6wmb by Molmil
Crystal structure of a soluble variant of full-length human APOBEC3G (pH 8.0)
Descriptor: APOLIPOPROTEIN B MRNA EDITING ENZYME, CATALYTIC PEPTIDE- LIKE 3G, DNA (5'-D(P*CP*C)-3'), ...
Authors:Maiti, A, Matsuo, H.
Deposit date:2020-04-21
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
J.Mol.Biol., 432, 2020
7MME
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BU of 7mme by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-15
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2021-04-29
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Deciphering the Molecular Mechanism and Role of Fluorination in HCV Protease Inhibitor Potency and Drug Resistance
To Be Published
1BKO
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BU of 1bko by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSF
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BU of 1bsf by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-10
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BKP
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BU of 1bkp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
3EKT
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BU of 3ekt by Molmil
Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.)
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL0
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BU of 3el0 by Molmil
Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKP
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BU of 3ekp by Molmil
Crystal Structure of the inhibitor Amprenavir (APV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A)Refer: FLAP+ in citation
Descriptor: ACETATE ION, PHOSPHATE ION, Protease, ...
Authors:Prabu-Jayabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKW
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BU of 3ekw by Molmil
Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug resistance HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) Refer: FLAP+ in citation.
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012

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