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4PE1
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BU of 4pe1 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC124
Descriptor: CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B
Authors:Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
Deposit date:2014-04-22
Release date:2014-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
6Y91
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BU of 6y91 by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH
Descriptor: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
Deposit date:2020-03-06
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
1OL0
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BU of 1ol0 by Molmil
Crystal structure of a camelised human VH
Descriptor: GLYCEROL, IMMUNOGLOBULIN G, SULFATE ION
Authors:Dottorini, T, Vaughan, C.K, Walsh, M.A, Losurdo, P, Sollazzo, M.
Deposit date:2003-08-02
Release date:2004-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of a Human Vh: Requirements for Maintaining a Monomeric Fragment
Biochemistry, 43, 2004
1OIA
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BU of 1oia by Molmil
U1A rnp domain 1-95
Descriptor: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
Authors:Nagai, K, Evans, P.R.
Deposit date:2003-06-12
Release date:2003-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the RNA-Binding Domain of the U1 Small Nuclear Ribonucleoprotein A
Nature, 348, 1990
1OED
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BU of 1oed by Molmil
STRUCTURE OF ACETYLCHOLINE RECEPTOR PORE FROM ELECTRON IMAGES
Descriptor: Acetylcholine receptor beta subunit, Acetylcholine receptor delta subunit, Acetylcholine receptor gamma subunit, ...
Authors:Miyazawa, A, Fujiyoshi, Y, Unwin, N.
Deposit date:2003-03-24
Release date:2003-06-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and Gating Mechanism of the Acetylcholine Receptor Pore.
Nature, 423, 2003
5VAR
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BU of 5var by Molmil
Crystal structure of KDM4A tandem TUDOR domain in complex with a tri-methyl lysine competitive inhibitor
Descriptor: (1R,2S,3R,4S)-3-[(dimethylamino)methyl]-1-phenylbicyclo[2.2.1]heptan-2-ol, Lysine-specific demethylase 4A
Authors:Judge, R.A, Upadhyay, A.K.
Deposit date:2017-03-27
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.
Bioorg. Med. Chem. Lett., 28, 2018
6ZMN
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BU of 6zmn by Molmil
Crystal structure of the Smad3-Smad5 MH1 domain chimera bound to the GGCGC site
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), ...
Authors:Pluta, R, Macias, M.J.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.333 Å)
Cite:Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes.
Comput Struct Biotechnol J, 19, 2021
6ZQT
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BU of 6zqt by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
Deposit date:2020-07-10
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
7AAB
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BU of 7aab by Molmil
Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47
Descriptor: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D.
Deposit date:2020-09-04
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
7AAA
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BU of 7aaa by Molmil
Crystal structure of the catalytic domain of human PARP1 (apo)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
Authors:Schimpl, M, Ogden, T.E.H, Yang, J.-C, Underwood, E, Rawlins, P.B, Johannes, J.W, Easton, L.E, Embrey, K.J, Neuhaus, D.
Deposit date:2020-09-04
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition.
Nucleic Acids Res., 49, 2021
6ZRN
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BU of 6zrn by Molmil
Crystal structure of the RLIP76 Ral binding domain mutant (E427S/L429M/Q433L/K440R) in complex with RalB-GMPPNP
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D.
Deposit date:2020-07-13
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases.
J.Biol.Chem., 296, 2020
5T7A
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BU of 5t7a by Molmil
Crystal structure of Br derivative BhCBM56
Descriptor: 1,2-ETHANEDIOL, BH0236 protein, BROMIDE ION
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-02
Release date:2017-08-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Properties of a family 56 carbohydrate-binding module and its role in the recognition and hydrolysis of beta-1,3-glucan.
J. Biol. Chem., 292, 2017
1QRV
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BU of 1qrv by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF HMG-D AND DNA
Descriptor: DNA (5'-D(*GP*CP*GP*AP*TP*AP*TP*CP*GP*C)-3'), HIGH MOBILITY GROUP PROTEIN D, SODIUM ION
Authors:Murphy IV, F.V, Sweet, R.M, Churchill, M.E.A.
Deposit date:1999-06-15
Release date:1999-12-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of a chromosomal high mobility group protein-DNA complex reveals sequence-neutral mechanisms important for non-sequence-specific DNA recognition.
EMBO J., 18, 1999
6I6E
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BU of 6i6e by Molmil
Circular permutant of ribosomal protein S6, swap strand 1 , L10A mutant
Descriptor: 30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RMA
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BU of 6rma by Molmil
Crystal structure of the DEAH-box ATPase Prp2 in complex with Spp2 and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
Authors:Hamann, F, Neumann, P, Ficner, R.
Deposit date:2019-05-06
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I69
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BU of 6i69 by Molmil
Circular permutant of ribosomal protein S6, adding 5aa to C terminal of P97-3, L10A mutant
Descriptor: 30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
7JXR
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BU of 7jxr by Molmil
Crystal Structure Human Immunodeficiency Virus-1 Matrix protein Mutant Q63R Crystal Form 1
Descriptor: HEXAETHYLENE GLYCOL, Matrix protein, SULFATE ION
Authors:Green, T.J, Eastep, G.N, Ghanam, R.H, Saad, J.S.
Deposit date:2020-08-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural characterization of HIV-1 matrix mutants implicated in envelope incorporation.
J.Biol.Chem., 296, 2021
7JXS
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BU of 7jxs by Molmil
Crystal Structure Human Immunodeficiency Virus-1 Matrix protein Mutant Q63R Crystal Form 2
Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, ...
Authors:Green, T.J, Eastep, G.N, Ghanam, R.H, Saad, J.S.
Deposit date:2020-08-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization of HIV-1 matrix mutants implicated in envelope incorporation.
J.Biol.Chem., 296, 2021
6I6U
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BU of 6i6u by Molmil
Circular permutant of ribosomal protein S6, adding 9aa to N terminal of P81-82, L75A mutant
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
1BJA
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BU of 1bja by Molmil
ACTIVATION DOMAIN OF THE PHAGE T4 TRANSCRIPTION FACTOR MOTA
Descriptor: SULFATE ION, TRANSCRIPTION REGULATORY PROTEIN MOTA
Authors:Finnin, M.S, Cicero, M.P, Davies, C, Porter, S.J, White, S.W, Kreuzer, K.N.
Deposit date:1998-06-23
Release date:1998-11-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The activation domain of the MotA transcription factor from bacteriophage T4.
EMBO J., 16, 1997
6SQ0
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BU of 6sq0 by Molmil
ERa_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8)
Descriptor: Bridged tetracyclic indole, Estrogen receptor
Authors:Breed, J.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Acs Med.Chem.Lett., 10, 2019
1C1Z
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BU of 1c1z by Molmil
CRYSTAL STRUCTURE OF HUMAN BETA-2-GLYCOPROTEIN-I (APOLIPOPROTEIN-H)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA2-GLYCOPROTEIN-I, ...
Authors:Schwarzenbacher, R, Zeth, K, Diederichs, K, Gries, A, Kostner, G.M, Laggner, P, Prassl, R.
Deposit date:1999-07-22
Release date:1999-11-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystal structure of human beta2-glycoprotein I: implications for phospholipid binding and the antiphospholipid syndrome.
EMBO J., 18, 1999
6SYG
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BU of 6syg by Molmil
Crystal structure of the Cyclic Nucleotide-Binding Homology Domain of the human KCNH2 channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Ben-Bassat, A, Giladi, M, Haitin, Y.
Deposit date:2019-09-27
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of KCNH2 cyclic nucleotide-binding homology domain reveals a functionally vital salt-bridge.
J.Gen.Physiol., 152, 2020
6TBZ
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BU of 6tbz by Molmil
Crystal structure of the MH1 domain of Smad5-Smad3 chimera construct bound to the GGCGC site
Descriptor: DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 5, ZINC ION
Authors:Pluta, R, Macias, M.J.
Deposit date:2019-11-04
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes.
Comput Struct Biotechnol J, 19, 2021
6TCE
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BU of 6tce by Molmil
Crystal structure of the GGCT site-bound MH1 domain of Smad5 containing a GGGS insertion in the Loop1
Descriptor: DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 5, ZINC ION
Authors:Pluta, R, Macias, M.J.
Deposit date:2019-11-05
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes.
Comput Struct Biotechnol J, 19, 2021

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