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6BWZ
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BU of 6bwz by Molmil
SYSGYS from low-complexity domain of FUS, residues 37-42
Descriptor: SYSGYS peptide from low-complexity domain of FUS
Authors:Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Tamir, G, Eisenberg, D.S.
Deposit date:2017-12-15
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
3GJD
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BU of 3gjd by Molmil
Crystal Structure of LeuT with bound OG
Descriptor: CHLORIDE ION, LEUCINE, SODIUM ION, ...
Authors:Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P.
Deposit date:2009-03-08
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
3GDT
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BU of 3gdt by Molmil
Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2009-02-24
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
3GDM
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BU of 3gdm by Molmil
Crystal structure of the K93R mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae
Descriptor: Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C.
Deposit date:2009-02-24
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the K93R mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae.
To be Published
3GIS
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BU of 3gis by Molmil
Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin
Descriptor: CALCIUM ION, Prothrombin, SULFATE ION, ...
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-03-06
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of thrombomodulin activation of slow thrombin
J.Thromb.Haemost., 7, 2009
3GJC
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BU of 3gjc by Molmil
Crystal Structure of the E290S mutant of LeuT with bound OG
Descriptor: LEUCINE, SODIUM ION, Transporter, ...
Authors:Winther, A.M.L, Quick, M, Javitch, J.A, Nissen, P.
Deposit date:2009-03-08
Release date:2009-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation
Proc.Natl.Acad.Sci.USA, 106, 2009
6WF4
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BU of 6wf4 by Molmil
Crystal Structure of TerC Co-crystallized with Polyporic Acid
Descriptor: (2~5~S)-2~3~,2~5~,2~6~-trihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~(2~5~H)-one, ISOPROPYL ALCOHOL, Terfestatin Biosyntheis Enzyme C
Authors:Clinger, J.A, Miller, M.D, Hall, R.E, Zhang, Y, Elshahawi, S.I, Thorson, J.S, Van Lanen, S.G, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2020-04-03
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and functional characterization of two cooperative enzymes responsible for the stability of p-terphenyls.
To be published
6WFV
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BU of 6wfv by Molmil
The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Guo, H.-F, Tsai, C.-L, Miller, M.D, Phillips Jr, G.N, Tainer, J.A, Kurie, J.M.
Deposit date:2020-04-04
Release date:2021-04-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human
To Be Published
6AX7
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BU of 6ax7 by Molmil
The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus
Descriptor: FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase
Authors:Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M.
Deposit date:2017-09-06
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding.
Nat Commun, 9, 2018
3EKG
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BU of 3ekg by Molmil
CRYSTAL STRUCTURE OF L-RHAMNONATE DEHYDRATASE FROM AZOTOBACTER VINELANDII complexed with Mg and L-TARTRATE
Descriptor: L(+)-TARTARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-09-19
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:CRYSTAL STRUCTURE OF L-RHAMNONATE DEHYDRATASE FROM AZOTOBACTER VINELANDII complexed with Mg and L-TARTRATE
To be Published
3EBD
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BU of 3ebd by Molmil
Structure of inhibited murine iNOS oxygenase domain
Descriptor: (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-27
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6B91
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BU of 6b91 by Molmil
Crystal structure of the N-terminal domain of human METTL16
Descriptor: 1,2-ETHANEDIOL, SODIUM ION, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase
Authors:Ruszkowska, A, Ruszkowski, M, Dauter, Z, Brown, J.A.
Deposit date:2017-10-09
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural insights into the RNA methyltransferase domain of METTL16.
Sci Rep, 8, 2018
3E6N
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BU of 3e6n by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C125813
Descriptor: 4-METHYL-6-PROPYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-15
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6VSB
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BU of 6vsb by Molmil
Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wrapp, D, Wang, N, Corbett, K.S, Goldsmith, J.A, Hsieh, C, Abiona, O, Graham, B.S, McLellan, J.S.
Deposit date:2020-02-10
Release date:2020-02-26
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation.
Science, 367, 2020
3ENM
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BU of 3enm by Molmil
The structure of the MAP2K MEK6 reveals an autoinhibitory dimer
Descriptor: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 6, GLYCEROL, ...
Authors:Min, X, Akella, R, He, H, Humphreys, J.M, Tsutakawa, S, Lee, S.-J, Tainer, J.A, Cobb, M.H, Goldsmith, E.J.
Deposit date:2008-09-25
Release date:2009-03-03
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of the MAP2K MEK6 reveals an autoinhibitory dimer
Structure, 17, 2009
3EAI
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BU of 3eai by Molmil
Structure of inhibited murine iNOS oxygenase domain
Descriptor: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
Deposit date:2008-08-25
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6D9G
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BU of 6d9g by Molmil
X-ray Structure of the FAB Fragment of 15B8, a Murine Monoclonal Antibody Specific for the Human Serotonin Transporter
Descriptor: Antibody heavy chain Fab, Antibody light chain Fab
Authors:Coleman, J.A, Yang, D, Gouaux, E.
Deposit date:2018-04-29
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
6DB9
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BU of 6db9 by Molmil
Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer
Descriptor: Fab-Heavy-Chain, Fab-Light-Chain, MAGNESIUM ION, ...
Authors:Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A.
Deposit date:2018-05-02
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.025 Å)
Cite:Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
Descriptor: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
3DFY
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BU of 3dfy by Molmil
Crystal structure of apo dipeptide epimerase from Thermotoga maritima
Descriptor: MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-12
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
6DHS
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BU of 6dhs by Molmil
Structure of hnRNP H qRRM1,2
Descriptor: Heterogeneous nuclear ribonucleoprotein H
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2018-05-21
Release date:2018-09-12
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
1NC6
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BU of 1nc6 by Molmil
Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone
Descriptor: (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ...
Authors:Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E.
Deposit date:2002-12-04
Release date:2003-09-23
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
3DDP
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BU of 3ddp by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor CR8
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 2, Cyclin-A2
Authors:Echalier, A, Endicott, J.A.
Deposit date:2008-06-06
Release date:2008-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases.
Oncogene, 27, 2008
6WIV
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BU of 6wiv by Molmil
Structure of human GABA(B) receptor in an inactive state
Descriptor: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R.
Deposit date:2020-04-10
Release date:2020-07-01
Last modified:2020-08-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
6WE6
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BU of 6we6 by Molmil
Camphor bound P450cam D251E structure
Descriptor: CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Amaya, J.A, Poulos, T.L, Batabyal, D.
Deposit date:2020-04-01
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020

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