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6RH6
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BU of 6rh6 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163
Descriptor: AP-2 complex subunit mu, Adaptin ear-binding coat-associated protein 1
Authors:Owen, D.J, Neuhaus, D, Yang, J.-C, Herrmann, T.
Deposit date:2019-04-18
Release date:2019-09-04
Method:SOLUTION NMR
Cite:Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
2H17
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BU of 2h17 by Molmil
Structure of human ADP-ribosylation factor-like 5 (ARL5)
Descriptor: ADP-ribosylation factor-like protein 5A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Rabeh, W.M, Tempel, W, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-05-16
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of human ADP-ribosylation factor-like 5 (ARL5)
To be Published
3SEX
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BU of 3sex by Molmil
Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II)
Descriptor: IODIDE ION, Maltose-binding periplasmic protein, NICKEL (II) ION, ...
Authors:Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-11
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
5M7H
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BU of 5m7h by Molmil
Crystal structure of Bacillus subtilis EngA in complex with phosphate ion and GMPPNP
Descriptor: GTPase Der, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:da Silveira Tome, C, Foucher, A.E, Jault, J.M, Housset, D.
Deposit date:2016-10-27
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal structure of Bacillus subtilis EngA in complex with phosphate ion and GMPPNP
To Be Published
1N0I
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BU of 1n0i by Molmil
Crystal Structure of Ferrochelatase with Cadmium bound at active site
Descriptor: CADMIUM ION, CHLORIDE ION, Ferrochelatase, ...
Authors:Lecerof, D, Fodje, M.N, Leon, R.A, Olsson, U, Hansson, A, Sigfridsson, E, Ryde, U, Hansson, M, Al-Karadaghi, S.
Deposit date:2002-10-14
Release date:2003-05-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal binding to Bacillus subtilis ferrochelatase and interaction between metal sites
J.Biol.Inorg.Chem., 8, 2003
5MBM
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BU of 5mbm by Molmil
Cathepsin B in complex with DARPin 8h6
Descriptor: Cathepsin B, DARPin 8h6
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Cathepsin B in complex with DARPin 8h6
To Be Published
6RM2
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BU of 6rm2 by Molmil
Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2019-05-04
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
6RMK
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BU of 6rmk by Molmil
Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
Deposit date:2019-05-07
Release date:2019-06-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
1N2J
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BU of 1n2j by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with pantoate
Descriptor: BETA-ALANINE, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
3SDP
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BU of 3sdp by Molmil
THE 2.1 ANGSTROMS RESOLUTION STRUCTURE OF IRON SUPEROXIDE DISMUTASE FROM PSEUDOMONAS OVALIS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Stoddard, B.L, Ringe, D, Petsko, G.A.
Deposit date:1991-05-06
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1-A resolution structure of iron superoxide dismutase from Pseudomonas ovalis.
Biochemistry, 29, 1990
2GSE
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BU of 2gse by Molmil
Crystal Structure of Human Dihydropyrimidinease-like 2
Descriptor: CALCIUM ION, Dihydropyrimidinase-related protein 2
Authors:Ogg, D, Stenmark, P, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Kursula, P, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Holmberg-Schiavone, L, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2006-04-26
Release date:2006-05-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of human collapsin response mediator protein 2, a regulator of axonal growth.
J.Neurochem., 101, 2007
5MES
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BU of 5mes by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 29
Descriptor: (5~{R},13~{S},17~{S})-5-[[4-chloranyl-3-(2-phenylethyl)phenyl]methyl]-13-[(4-chlorophenyl)methyl]-8-methyl-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20(25),21,23-triene-3,7,15,26-tetrone, Heavy Chain, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.
ACS Med Chem Lett, 8, 2017
6RJR
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BU of 6rjr by Molmil
Crystal structure of a Fungal Catalase at 1.9 Angstrom
Descriptor: CHLORIDE ION, Catalase, GLYCEROL, ...
Authors:Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C.
Deposit date:2019-04-29
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
1N40
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BU of 1n40 by Molmil
Atomic structure of CYP121, a mycobacterial P450
Descriptor: Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-30
Release date:2003-02-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450.
J.Biol.Chem., 278, 2003
5MGG
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BU of 5mgg by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
2HB5
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BU of 2hb5 by Molmil
Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain
Descriptor: MAGNESIUM ION, Reverse transcriptase/ribonuclease H, SULFATE ION
Authors:Lim, D, Gregorio, G.G, Bingman, C.A, Martinez-Hackert, E, Hendrickson, W.A, Goff, S.P.
Deposit date:2006-06-13
Release date:2006-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of the Moloney Murine Leukemia Virus RNase H Domain.
J.Virol., 80, 2006
5MGJ
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BU of 5mgj by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
1MU6
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BU of 1mu6 by Molmil
Crystal Structure of Thrombin in Complex with L-378,622
Descriptor: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
Authors:Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
5MAD
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BU of 5mad by Molmil
GFP-binding DARPin 3G61
Descriptor: 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MBL
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BU of 5mbl by Molmil
Cathepsin B in complex with DARPin 81
Descriptor: Cathepsin B, DARPin 81, SULFATE ION
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Cathepsin B in complex with DARPin 81
To Be Published
6RTT
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BU of 6rtt by Molmil
Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with picolinic acid
Descriptor: GLYCEROL, PYRIDINE-2-CARBOXYLIC ACID, SULFATE ION, ...
Authors:Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I.
Deposit date:2019-05-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
5MGL
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BU of 5mgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
Descriptor: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6RUA
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BU of 6rua by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P.
Deposit date:2019-05-27
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
5MGU
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BU of 5mgu by Molmil
Kinetic and Structural Changes in HsmtPheRS, Induced by Pathogenic Mutations in Human FARS2
Descriptor: PHENYLALANINE, Phenylalanine--tRNA ligase, mitochondrial
Authors:Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M.
Deposit date:2016-11-22
Release date:2017-05-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2.
Protein Sci., 26, 2017
6RLE
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BU of 6rle by Molmil
Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97
Descriptor: 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C.
Deposit date:2019-05-02
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020

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