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1I6P
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BU of 1i6p by Molmil
CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA)
Descriptor: CARBONIC ANHYDRASE, ZINC ION
Authors:Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J.
Deposit date:2001-03-02
Release date:2001-05-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity.
Protein Sci., 10, 2001
6UWX
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BU of 6uwx by Molmil
Cocrystal of BRD4(D1) with a ethyl carbamate thiazepane inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
Authors:Johnson, J.A, Pomerantz, W.C.K.
Deposit date:2019-11-05
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
6UPU
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BU of 6upu by Molmil
Crystal structure of the Orientia tsutsugamushi OtDUB in complex with three molecules of ubiquitin
Descriptor: ULP_PROTEASE domain-containing protein, Ubiquitin
Authors:Lim, C.S, Ronau, J.A, Xiong, Y.
Deposit date:2019-10-18
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
6UPS
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BU of 6ups by Molmil
Crystal structure of the deubiquitylase domain from the Orientia tsutsugamushi protein OTT_1962 (OtDUB)
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Ronau, J.A, Lim, C.S, Xiong, Y.
Deposit date:2019-10-18
Release date:2020-04-01
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
1JQG
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BU of 1jqg by Molmil
Crystal Structure of the Carboxypeptidase A from Helicoverpa Armigera
Descriptor: ZINC ION, carboxypeptidase A
Authors:Estebanez-Perpina, E, Bayes, A, Vendrell, J, Jongsma, M.A, Bown, D.P, Gatehouse, J.A, Huber, R, Bode, W, Aviles, F.X, Reverter, D.
Deposit date:2001-08-07
Release date:2002-08-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a novel mid-gut procarboxypeptidase from the cotton pest Helicoverpa armigera.
J.Mol.Biol., 313, 2001
1JGL
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BU of 1jgl by Molmil
Crystal structure of immunoglobulin Fab fragment complexed with 17-beta-estradiol
Descriptor: ESTRADIOL, Ig gamma-1-chain, Ig kappa-chain
Authors:Lamminmaki, U, Kankare, J.A.
Deposit date:2001-06-26
Release date:2001-10-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a recombinant anti-estradiol Fab fragment in complex with 17beta -estradiol.
J.Biol.Chem., 276, 2001
6UVM
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BU of 6uvm by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4
Authors:Johnson, J.A, Pomerantz, W.C.K.
Deposit date:2019-11-03
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
1KJV
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BU of 1kjv by Molmil
TAP-B-associated rat MHC class I molecule
Descriptor: Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ...
Authors:Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A.
Deposit date:2001-12-05
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially with peptide transporter alleles TAP-A and TAP-B.
J.Mol.Biol., 324, 2002
6V1I
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BU of 6v1i by Molmil
Cryo-EM reconstruction of the thermophilic bacteriophage P74-26 small terminase- symmetric
Descriptor: Small terminase protein
Authors:Hayes, J.A, Hilbert, B.J, Gaubitz, C, Stone, N.P, Kelch, B.A.
Deposit date:2019-11-20
Release date:2020-02-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A thermophilic phage uses a small terminase protein with a fixed helix-turn-helix geometry.
J.Biol.Chem., 295, 2020
6VBA
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BU of 6vba by Molmil
Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA)
Descriptor: 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase
Authors:Moiani, D, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation.
Prog.Biophys.Mol.Biol., 163, 2021
6VF2
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BU of 6vf2 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mg2+ (960 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mg2+ (960 min)
To be published
6VF1
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BU of 6vf1 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mg2+ (120 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mg2+ (120 min)
To be published
6VF3
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BU of 6vf3 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.521 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
To be published
6VF0
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BU of 6vf0 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min)
To be published
6VF8
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BU of 6vf8 by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Pre-Catalytic Ternary Complex, 20 mM Ca2+ (120 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Pre-Catalytic Ternary Complex, 20 mM Ca2+ (120 min)
To be published
6VF4
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BU of 6vf4 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (30 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (30 min)
To be published
6VEZ
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BU of 6vez by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.875 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
To be published
6VF6
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BU of 6vf6 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
To be published
6VF5
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BU of 6vf5 by Molmil
DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
To be published
6VF9
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BU of 6vf9 by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
To be published
6VF7
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BU of 6vf7 by Molmil
DNA Polymerase Mu, 8-oxodGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:DNA Polymerase Mu, 8-oxodGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
To be published
6VFA
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BU of 6vfa by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Ground State Ternary Complex, 50 mM Mn2+ (15 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Ground State Ternary Complex, 50 mM Mn2+ (15 min)
To be published
6VFB
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BU of 6vfb by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min)
To be published
6VFC
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BU of 6vfc by Molmil
DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2020-01-03
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min)
To be published
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
Descriptor: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020

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