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4QVE
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BU of 4qve by Molmil
Crystal structure of Bcl-xL in complex with BID BH3 domain
Descriptor: Bcl-2-like protein 1, IMIDAZOLE, Peptide from BH3-interacting domain death agonist
Authors:Sreekanth, R, Yoon, H.S.
Deposit date:2014-07-14
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bh3 induced conformational changes in Bcl-Xl revealed by crystal structure and comparative analysis.
Proteins, 83, 2015
4QUV
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BU of 4quv by Molmil
Structure of an integral membrane delta(14)-sterol reductase
Descriptor: Delta(14)-sterol reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, X, Blobel, G.
Deposit date:2014-07-12
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.743 Å)
Cite:Structure of an integral membrane sterol reductase from Methylomicrobium alcaliphilum.
Nature, 517, 2015
4QVB
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BU of 4qvb by Molmil
Mycobacterium tuberculosis protein Rv1155 in complex with co-enzyme F420
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, COENZYME F420, ...
Authors:Mashalidis, E.H, Gittis, A.G, Tomczak, A, Abell, C, Barry III, C.E, Garboczi, D.N.
Deposit date:2014-07-14
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular insights into the binding of coenzyme F420 to the conserved protein Rv1155 from Mycobacterium tuberculosis.
Protein Sci., 24, 2015
5D6W
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BU of 5d6w by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
4REM
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BU of 4rem by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with delphinidin
Descriptor: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase
Authors:Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
Deposit date:2014-09-23
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
5DAL
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BU of 5dal by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Di-glutathione-PhenylArsine, GLUTATHIONE, ...
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
4REL
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BU of 4rel by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ACETATE ION, GLYCEROL, ...
Authors:Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
Deposit date:2014-09-23
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
4R1R
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BU of 4r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH SUBSTRATE, GDP AND EFFECTOR DTTP FROM ESCHERICHIA COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, ...
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-22
Release date:1998-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
4R3I
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BU of 4r3i by Molmil
The crystal structure of an RNA complex
Descriptor: RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Tempel, W, Xu, C, Liu, K, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
5CZL
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BU of 5czl by Molmil
Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
Descriptor: Glucanase, PHOSPHATE ION
Authors:Scapin, S.M.N, Souza, F.H.M, Zanphorlin, L.M, Almeida, T.S, Sade, Y.B, Cardoso, A.M, Pinheiro, G.L, Murakami, M.T.
Deposit date:2015-07-31
Release date:2016-08-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:Crystal structure of a novel GH8 endo-beta-1,4-glucanase from an Achatina fulica gut metagenomic library
To Be Published
5D56
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BU of 5d56 by Molmil
In meso in situ serial X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, CITRATE ANION, ...
Authors:Huang, C.-Y, Howe, N, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D6X
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BU of 5d6x by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
Descriptor: Lysine-specific demethylase 4A, SULFATE ION
Authors:Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-08-13
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
5D9W
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BU of 5d9w by Molmil
Dehydroascorbate reductase (OsDHAR) complexed with ASA
Descriptor: ASCORBIC ACID, Dehydroascorbate reductase
Authors:Do, H, Lee, J.H.
Deposit date:2015-08-19
Release date:2016-02-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6897 Å)
Cite:Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Sci Rep, 6, 2016
4R4F
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BU of 4r4f by Molmil
Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 YU2 gp120
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c LIGHT CHAIN, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
4R5P
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BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
Descriptor: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-08-21
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
1QJ3
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BU of 1qj3 by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid
Descriptor: 7,8-DIAMINOPELARGONIC ACID SYNTHASE, 7-KETO-8-AMINOPELARGONIC ACID, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Kaeck, H, Sandmark, J, Gibson, K.J, Lindqvist, Y, Schneider, G.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Diaminopelargonic Acid Synthase; Evolutionary Relationships between Pyridoxal-5'-Phosphate Dependent Enzymes
J.Mol.Biol., 291, 1999
4RPJ
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BU of 4rpj by Molmil
Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with UDP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues.
J.Am.Chem.Soc., 137, 2015
4RTS
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BU of 4rts by Molmil
Complex of Escherichia coli DNA Adenine Methyltransferase (DAM) with AdoMet and a 5-bp non-canonical site (GTCTA)
Descriptor: DNA (5'-D(*AP*CP*TP*TP*AP*GP*AP*CP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*GP*TP*CP*TP*AP*AP*G)-3'), DNA adenine methylase, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2014-11-15
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structures of Escherichia coli DNA adenine methyltransferase (Dam) in complex with a non-GATC sequence: potential implications for methylation-independent transcriptional repression.
Nucleic Acids Res., 43, 2015
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RW4
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BU of 4rw4 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Descriptor: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.674 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
4S1Z
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BU of 4s1z by Molmil
Crystal structure of TRABID NZF1 in complex with K29 linked di-Ubiquitin
Descriptor: Ubiquitin, Ubiquitin thioesterase ZRANB1, ZINC ION
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Campbell, D.G, Morrice, N.A, Johnson, C, Toth, R, Kulathu, Y.
Deposit date:2015-01-16
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:K29-selective ubiquitin binding domain reveals structural basis of specificity and heterotypic nature of k29 polyubiquitin.
Mol.Cell, 58, 2015
4JSP
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BU of 4jsp by Molmil
structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase mTOR, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
7CJV
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BU of 7cjv by Molmil
Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a dilute environment
Descriptor: Monomeric Human Cu,Zn Superoxide dismutase
Authors:Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K.
Deposit date:2020-07-14
Release date:2021-05-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel.
J.Phys.Chem.B, 125, 2021
4JT5
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BU of 4jt5 by Molmil
mTORdeltaN-mLST8-pp242 complex
Descriptor: 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P, Yang, H.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
7CJW
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BU of 7cjw by Molmil
Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a crowded environment
Descriptor: Monomeric Human Cu,Zn Superoxide dismutase
Authors:Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K.
Deposit date:2020-07-14
Release date:2021-05-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel.
J.Phys.Chem.B, 125, 2021

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