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4NHF
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BU of 4nhf by Molmil
Crystal structure of the soluble domain of TrwG Type IV secretion machinery from Bartonella grahamii
Descriptor: CALCIUM ION, TrwG protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
4NL9
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BU of 4nl9 by Molmil
Crystal structure of the human Anks3-SAM/Anks6-SAM heterodimer
Descriptor: Ankyrin repeat and SAM domain-containing protein 3, Ankyrin repeat and SAM domain-containing protein 6, MAGNESIUM ION
Authors:Leettola, C.N, Cascio, D, Bowie, J.U.
Deposit date:2013-11-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of the SAM domain of the PKD-related protein ANKS6 and its interaction with ANKS3.
Bmc Struct.Biol., 14, 2014
4NGG
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BU of 4ngg by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 13-mer siRNA having 5'-A and UU-3' ends (2.6 Angstrom resolution)
Descriptor: 5'-R(*AP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer, PHOSPHATE ION
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NIP
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BU of 4nip by Molmil
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NDU
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BU of 4ndu by Molmil
Crystal structure of L. decastes alpha-galactosyl-binding lectin in complex with alpha-methylgalactoside
Descriptor: Alpha-galactosyl-binding lectin, methyl alpha-D-galactopyranoside
Authors:Van Eerde, A, Grahn, E, Krengel, U.
Deposit date:2013-10-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Atomic-resolution structure of the alpha-galactosyl binding Lyophyllum decastes lectin reveals a new protein family found in both fungi and plants.
Glycobiology, 25, 2015
4NE2
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BU of 4ne2 by Molmil
Pantothenamide-bound Pantothenate Kinase from Klebsiella pneumoniae
Descriptor: (R)-N-(3-((2-(benzo[d][1,3]dioxol-5-yl)ethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Kim, K.P, Smil, D, Park, H.W.
Deposit date:2013-10-28
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterization of a new N-substituted pantothenamide bound to pantothenate kinases from Klebsiella pneumoniae and Staphylococcus aureus.
Proteins, 82, 2014
4NGC
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BU of 4ngc by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 12-mer siRNA having UA-3' ends (2.1 Angstrom resolution)
Descriptor: 5'-R(*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*A)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-01
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NGM
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BU of 4ngm by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Pachl, P.
Deposit date:2013-11-02
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NH6
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BU of 4nh6 by Molmil
Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 15-mer siRNA having 5'-pUUU and UU-3' ends (2.55 Angstrom resolution)
Descriptor: 5'-R(P*UP*UP*UP*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3', Endoribonuclease Dicer
Authors:Simanshu, D.K, Tian, Y, Patel, D.J.
Deposit date:2013-11-04
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NHK
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BU of 4nhk by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
Descriptor: GLYCEROL, MANGANESE (II) ION, PKHD-type hydroxylase TPA1, ...
Authors:Scotti, J.S, McDonough, M.A, Schofield, C.J.
Deposit date:2013-11-05
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
4NNS
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BU of 4nns by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzenesulfonic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
4NCA
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BU of 4nca by Molmil
Structure of Thermus thermophilus Argonaute bound to guide DNA 19-mer and target DNA in the presence of Mg2+
Descriptor: 5'-D(*AP*CP*AP*AP*CP*C)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', ...
Authors:Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
Deposit date:2013-10-24
Release date:2014-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NO0
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BU of 4no0 by Molmil
Crystal structure of non-phosphorylated form of RQA_V phosphopeptide bound to HLA-A2 in complex with LILRB1
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Mohammed, F, Stones, D.H, Willcox, B.E.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The antigenic identity of human class I MHC phosphopeptides is critically dependent upon phosphorylation status.
Oncotarget, 8, 2017
4NP5
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BU of 4np5 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92N at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Nam, S, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2013-11-20
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pressure effects in proteins
To be Published
4NPC
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BU of 4npc by Molmil
Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
Descriptor: ACETATE ION, Sorbitol dehydrogenase
Authors:Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-11-21
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
To be Published
4NR5
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BU of 4nr5 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, CREB-binding protein, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Pike, A.W, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-26
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand
To be Published
4NGR
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BU of 4ngr by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Tykvart, J, Pachl, P.
Deposit date:2013-11-02
Release date:2014-06-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4N7W
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BU of 4n7w by Molmil
Crystal Structure of the sodium bile acid symporter from Yersinia frederiksenii
Descriptor: CITRIC ACID, Transporter, sodium/bile acid symporter family, ...
Authors:Zhou, X, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-10-16
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural basis of the alternating-access mechanism in a bile acid transporter.
Nature, 505, 2013
4NB0
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BU of 4nb0 by Molmil
Crystal Structure of FosB from Staphylococcus aureus with BS-Cys9 disulfide at 1.62 Angstrom Resolution
Descriptor: CYSTEINE, GLYCEROL, Metallothiol transferase FosB, ...
Authors:Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Cook, P.D, Armstrong, R.N.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
4MW5
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BU of 4mw5 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415)
Descriptor: 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.347 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4N0Q
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BU of 4n0q by Molmil
Crystal Structure of an ABC transporter, substrate-binding protein from Brucella melitensis 16M in complex with L-Leucine using a crystal grown in a Crystal Former (Microlytic)
Descriptor: LEUCINE, Leu/Ile/Val-binding protein homolog 3
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-02
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an ABC transporter, substrate-binding protein from Brucella melitensis 16M in complex with L-Leucine using a crystal grown in a Crystal Former (Microlytic)
To be Published
4MR6
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BU of 4mr6 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MRF
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BU of 4mrf by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Descriptor: 1,2,3,4-tetrahydroisoquinoline, CD44 antigen, DIMETHYL SULFOXIDE, ...
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-15
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014

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