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7QEE
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BU of 7qee by Molmil
SN243 mutant D415N bound to para-nitrophenyl-Beta-D-glucuronide
Descriptor: 4-nitrophenyl beta-D-glucopyranosiduronic acid, SN243, SULFATE ION, ...
Authors:Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F.
Deposit date:2021-12-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.374 Å)
Cite:Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
7QPP
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BU of 7qpp by Molmil
High resolution structure of human VDR ligand binding domain in complex with calcitriol
Descriptor: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SULFATE ION, Vitamin D3 receptor
Authors:Rochel, N.
Deposit date:2022-01-05
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain.
J.Med.Chem., 65, 2022
4ZXM
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BU of 4zxm by Molmil
Crystal structure of PGRP domain from Branchiostoma belcheri tsingtauense peptidoglycan recognition protein 3
Descriptor: PGRP domain of peptidoglycan recognition protein 3
Authors:Wang, W.J, Cheng, W, Jiang, Y.L, Yu, H.M, Luo, M.
Deposit date:2015-05-20
Release date:2015-10-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activity Augmentation of Amphioxus Peptidoglycan Recognition Protein BbtPGRP3 via Fusion with a Chitin Binding Domain
Plos One, 10, 2015
1D63
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BU of 1d63 by Molmil
CRYSTAL STRUCTURE OF A BERENIL-D(CGCAAATTTGCG) COMPLEX; AN EXAMPLE OF DRUG-DNA RECOGNITION BASED ON SEQUENCE-DEPENDENT STRUCTURAL FEATURES
Descriptor: BERENIL, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Brown, D.G, Sanderson, M.R, Garman, E, Neidle, S.
Deposit date:1992-03-02
Release date:1993-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a berenil-d(CGCAAATTTGCG) complex. An example of drug-DNA recognition based on sequence-dependent structural features.
J.Mol.Biol., 226, 1992
1CFG
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BU of 1cfg by Molmil
MEMBRANE-BINDING PEPTIDE FROM THE C2 DOMAIN OF FACTOR VIII FORMS AN AMPHIPATHIC STRUCTURE AS DETERMINED BY NMR SPECTROSCOPY
Descriptor: COAGULATION FACTOR VIII
Authors:Baleja, J.D, Gilbert, G.E.
Deposit date:1994-11-10
Release date:1995-11-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Membrane-binding peptide from the C2 domain of factor VIII forms an amphipathic structure as determined by NMR spectroscopy.
Biochemistry, 34, 1995
2FN2
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BU of 2fn2 by Molmil
SOLUTION NMR STRUCTURE OF THE GLYCOSYLATED SECOND TYPE TWO MODULE OF FIBRONECTIN, 20 STRUCTURES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FIBRONECTIN
Authors:Sticht, H, Pickford, A.R, Potts, J.R, Campbell, I.D.
Deposit date:1997-08-06
Release date:1998-09-16
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Solution structure of the glycosylated second type 2 module of fibronectin.
J.Mol.Biol., 276, 1998
6GWX
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BU of 6gwx by Molmil
Stabilising and Understanding a Miniprotein by Rational Design.
Descriptor: Optimised PPa-TYR
Authors:Porter Goff, K.L, Williams, C, Baker, E.G, Nicol, D, Samphire, J.L, Zieleniewski, F.L, Crump, M.P, Woolfson, D.N.
Deposit date:2018-06-26
Release date:2019-07-10
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Stabilizing and Understanding a Miniprotein by Rational Redesign.
Biochemistry, 58, 2019
7VCM
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BU of 7vcm by Molmil
crystal structure of GINKO1
Descriptor: Green fluorescent protein,Potassium binding protein Kbp,Green fluorescent protein, POTASSIUM ION
Authors:Wen, Y, Campbell, R.E, Lemieux, M.J.
Deposit date:2021-09-03
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A sensitive and specific genetically-encoded potassium ion biosensor for in vivo applications across the tree of life.
Plos Biol., 20, 2022
4YXK
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BU of 4yxk by Molmil
Crystal structure of Elk prion protein complexed with POM1 FAB
Descriptor: Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2015-03-23
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins.
J.Struct.Biol., 192, 2015
8ES5
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BU of 8es5 by Molmil
Aha1 domain protein from Pseudomonas aeruginosa
Descriptor: Activator of HSP90 ATPase
Authors:Colautti, J, Whitney, J.C.
Deposit date:2022-10-13
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Lack of evidence that Pseudomonas aeruginosa AmpDh3-PA0808 constitute a type VI secretion system effector-immunity pair.
Mol.Microbiol., 119, 2023
4ZBF
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BU of 4zbf by Molmil
Mcl-1 complexed with small molecules
Descriptor: (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
2UXA
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BU of 2uxa by Molmil
Crystal structure of the GluR2-flip ligand binding domain, r/g unedited.
Descriptor: GLUTAMATE RECEPTOR SUBUNIT GLUR2-FLIP, GLUTAMIC ACID, ZINC ION
Authors:Greger, I.H, Akamine, P, Khatri, L, Ziff, E.B.
Deposit date:2007-03-27
Release date:2007-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Developmentally Regulated, Combinatorial RNA Processing Modulates Ampa Receptor Biogenesis.
Neuron, 51, 2006
4YX2
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BU of 4yx2 by Molmil
Crystal structure of Bovine prion protein complexed with POM1 FAB
Descriptor: Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2015-03-22
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins.
J.Struct.Biol., 192, 2015
4YVB
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BU of 4yvb by Molmil
Structure of D128N streptavidin
Descriptor: BIOTIN, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2015-03-19
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Streptavidin Binding Site Mutation Yields an Unexpected Result
To Be Published
4YXL
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BU of 4yxl by Molmil
Crystal structure of Syrian hamster prion protein complexed with POM1 FAB
Descriptor: Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2015-03-23
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins.
J.Struct.Biol., 192, 2015
4Z0W
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BU of 4z0w by Molmil
Peptaibol gichigamin isolated from Tolypocladium sup_5
Descriptor: PEPTAIBOL GICHIGAMIN
Authors:Du, L, Risinger, A.L, Mitchell, C.A, Stamps, B.W, Pan, N, King, J.B, Motley, J.L, Thomas, L.M, Yang, Z, Stevenson, B.S, Mooberry, S.L, Cichewicz, R.H.
Deposit date:2015-03-26
Release date:2016-03-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Peptaibol gichigamin isolated from Tolypocladium sup_5
TO BE PUBLISHED
4XAX
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BU of 4xax by Molmil
Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain
Descriptor: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
Authors:Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
Deposit date:2014-12-15
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
6WT2
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BU of 6wt2 by Molmil
Crystal Structure of Putative NAD(P)H-Flavin Oxidoreductase from Neisseria meningitidis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-01
Release date:2020-05-13
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
8PN9
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BU of 8pn9 by Molmil
Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
Authors:Ramirez, A.S, Kowal, J, Locher, K.P.
Deposit date:2023-06-30
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024
4Z68
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BU of 4z68 by Molmil
Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope
Descriptor: GLU-ILE-ARG-GLU-GLN-GLY-ASP-GLY-ALA-GLU-ASP-GLU, SULFATE ION, Tankyrase-2
Authors:Fetics, S.K, Campanacci, V, Dang, I, Gautreau, A, Cherfils, J.
Deposit date:2015-04-04
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope.
Structure, 24, 2016
1EX0
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BU of 1ex0 by Molmil
HUMAN FACTOR XIII, MUTANT W279F ZYMOGEN
Descriptor: CALCIUM ION, COAGULATION FACTOR XIII A CHAIN, PHOSPHATE ION, ...
Authors:Garzon, R.J, Pratt, K.P, Bishop, P.D, Le Trong, I, Stenkamp, R.E, Teller, D.C.
Deposit date:2000-04-28
Release date:2003-12-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tryptophan 279 is Essential for the Transglutaminase Activity of Coagulation Factor XIII: Functional and Structural Characterization
To be Published
2HMB
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BU of 2hmb by Molmil
THREE-DIMENSIONAL STRUCTURE OF RECOMBINANT HUMAN MUSCLE FATTY ACID-BINDING PROTEIN
Descriptor: MUSCLE FATTY ACID BINDING PROTEIN, PALMITIC ACID
Authors:Zanotti, G, Scapin, G, Spadon, P, Veerkamp, J.H, Sacchettini, J.C.
Deposit date:1992-09-11
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of recombinant human muscle fatty acid-binding protein.
J.Biol.Chem., 267, 1992
4YXH
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BU of 4yxh by Molmil
Crystal structure of Deer prion protein complexed with POM1 FAB
Descriptor: Major prion protein, POM1 FAB HEAVY CHAIN, POM1 FAB LIGHT CHAIN, ...
Authors:Baral, P.K, Swayampakula, M, James, M.N.G.
Deposit date:2015-03-23
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structural and molecular dynamical studies of the globular domains of cow, deer, elk and Syrian hamster prion proteins.
J.Struct.Biol., 192, 2015
2FMC
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BU of 2fmc by Molmil
Solution structure of the class I hydrophobin EAS
Descriptor: Hydrophobin
Authors:Kwan, A.H.
Deposit date:2006-01-09
Release date:2006-03-28
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural basis for rodlet assembly in fungal hydrophobins
Proc.Natl.Acad.Sci.Usa, 103, 2006
7VM1
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BU of 7vm1 by Molmil
Crystal Structure of HasAp Capturing Iron Tetra(4-pyridyl)porphyrin
Descriptor: Fe-Tetra(4-pyridyl)porphyrin, GLYCEROL, Heme acquisition protein HasAp
Authors:Shisaka, Y, Ueda, G, Sakakibara, E, Sugimoto, H, Shoji, O.
Deposit date:2021-10-06
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022

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