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6DLC
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BU of 6dlc by Molmil
Designed protein DHD1:234_A, Designed protein DHD1:234_B
Descriptor: Designed protein DHD1:234_A, Designed protein DHD1:234_B
Authors:Bick, M.J, Chen, Z, Baker, D.
Deposit date:2018-05-31
Release date:2018-12-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
5W52
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BU of 5w52 by Molmil
MicroED structure of the segment, DLIIKGISVHI, from the RRM2 of TDP-43, residues 247-257
Descriptor: TAR DNA-binding protein 43
Authors:Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2017-06-13
Release date:2018-02-21
Last modified:2024-04-03
Method:ELECTRON CRYSTALLOGRAPHY (1.4 Å)
Cite:Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2.
Nat. Struct. Mol. Biol., 25, 2018
5W56
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BU of 5w56 by Molmil
Structure of Apo AztC
Descriptor: GLYCEROL, Periplasmic solute binding protein, SODIUM ION
Authors:Avalos, D, Yukl, E.T.
Deposit date:2017-06-14
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
5W6J
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BU of 5w6j by Molmil
Agrobacterium tumefaciens ADP-glucose pyrophosphorylase
Descriptor: Glucose-1-phosphate adenylyltransferase, SULFATE ION
Authors:Mascarenhas, R.N, Hill, B.L, Wu, R, Ballicora, M.A, Liu, D.
Deposit date:2017-06-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural analysis reveals a pyruvate-binding activator site in theAgrobacterium tumefaciensADP-glucose pyrophosphorylase.
J. Biol. Chem., 294, 2019
5W57
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BU of 5w57 by Molmil
Structure of Holo AztC
Descriptor: Periplasmic solute binding protein, ZINC ION
Authors:Avalos, D, Yukl, E.T.
Deposit date:2017-06-14
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
5VGZ
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BU of 5vgz by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-12
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHS
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BU of 5vhs by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHF
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BU of 5vhf by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHH
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BU of 5vhh by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5VHI
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BU of 5vhi by Molmil
Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ...
Authors:Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y.
Deposit date:2017-04-13
Release date:2017-08-23
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
5WK9
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BU of 5wk9 by Molmil
R186AP450cam with CN and camphor
Descriptor: CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ...
Authors:Poulos, T.L, Batabyal, D.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
5WKD
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BU of 5wkd by Molmil
Crystal structure of the segment, GNNQGSN, from the low complexity domain of TDP-43, residues 300-306
Descriptor: TAR DNA-binding protein 43
Authors:Guenther, E.L, Trinh, H, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2017-07-25
Release date:2018-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
5W7G
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BU of 5w7g by Molmil
An envelope of a filamentous hyperthermophilic virus carries lipids in a horseshoe conformation
Descriptor: DNA (253-MER), ORF132, ORF140
Authors:Kasson, P, DiMaio, F, Yu, X, Lucas-Staat, S, Krupovic, M, Schouten, S, Prangishvili, D, Egelman, E.
Deposit date:2017-06-19
Release date:2017-07-19
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Model for a novel membrane envelope in a filamentous hyperthermophilic virus.
Elife, 6, 2017
5WED
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BU of 5wed by Molmil
Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.15A resolution
Descriptor: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Nakatani, Y, Aragao, D, Cook, G.M.
Deposit date:2017-07-09
Release date:2017-10-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of type II NADH:quinone oxidoreductase from Caldalkalibacillus thermarum with an improved resolution of 2.15 angstrom.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5WMV
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BU of 5wmv by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WK7
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BU of 5wk7 by Molmil
P450cam mutant R186A
Descriptor: 5-EXO-HYDROXYCAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Batabyal, D, Poulos, T.L.
Deposit date:2017-07-24
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.983 Å)
Cite:Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.
J. Am. Chem. Soc., 139, 2017
5WKA
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BU of 5wka by Molmil
Crystal structure of a GH1 beta-glucosidase retrieved from microbial metagenome of Poraque Amazon lake
Descriptor: Beta-glucosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Morais, M.A.B, Toyama, D, Ramos, F.C, Zanphorlin, L.M, Tonoli, C.C.C, Miranda, F.P, Ruller, R, Henrique-Silva, F, Murakami, M.T.
Deposit date:2017-07-24
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A novel beta-glucosidase isolated from the microbial metagenome of Lake Poraque (Amazon, Brazil).
Biochim. Biophys. Acta, 1866, 2018
5WMU
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BU of 5wmu by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WN8
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BU of 5wn8 by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lewis-Ballester, A, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L, Yeh, S.R.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5KZQ
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BU of 5kzq by Molmil
Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
Deposit date:2016-07-25
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5WMX
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BU of 5wmx by Molmil
Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1
Descriptor: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
Authors:Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.M.
Deposit date:2017-07-31
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
5WS3
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BU of 5ws3 by Molmil
Crystal structures of human orexin 2 receptor bound to the selective antagonist EMPA determined by serial femtosecond crystallography at SACLA
Descriptor: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ...
Authors:Suno, R, Kimura, K, Nakane, T, Yamashita, K, Wang, J, Fujiwara, T, Yamanaka, Y, Im, D, Tsujimoto, H, Sasanuma, M, Horita, S, Hirokawa, T, Nango, E, Tono, K, Kameshima, T, Hatsui, T, Joti, Y, Yabashi, M, Shimamoto, K, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T.
Deposit date:2016-12-05
Release date:2017-12-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA.
Structure, 26, 2018
5X07
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BU of 5x07 by Molmil
Crystal structure of FOXA2 DNA binding domain bound to a full consensus DNA site
Descriptor: DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), Hepatocyte nuclear factor 3-beta
Authors:Li, J, Guo, M, Zhou, Z, Jiang, L, Chen, X, Qu, L, Wu, D, Chen, Z, Chen, L, Chen, Y.
Deposit date:2017-01-20
Release date:2017-08-16
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure of the Forkhead Domain of FOXA2 Bound to a Complete DNA Consensus Site
Biochemistry, 56, 2017
5WB4
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BU of 5wb4 by Molmil
Crystal structure of the TarA wall teichoic acid glycosyltransferase
Descriptor: N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, SULFATE ION
Authors:Kattke, M.D, Cascio, D, Sawaya, M.R, Clubb, R.T.
Deposit date:2017-06-27
Release date:2019-01-16
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of TagA, a novel membrane-associated glycosyltransferase that produces wall teichoic acids in pathogenic bacteria.
Plos Pathog., 15, 2019
5WEX
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BU of 5wex by Molmil
Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors
Descriptor: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Tanini, D, Peat, T.S, Di Cesare Mannelli, L, Bartolucci, G, Capperucci, A, Ghelardini, C, Supuran, C.T, Carta, F.
Deposit date:2017-07-10
Release date:2017-10-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017

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