6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6HLA
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![BU of 6hla by Molmil](/molmil-images/mine/6hla) | wild-type NuoEF from Aquifex aeolicus - reduced form bound to NADH | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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417D
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![BU of 417d by Molmil](/molmil-images/mine/417d) | A THYMINE-LIKE BASE ANALOGUE FORMS WOBBLE PAIRS WITH ADENINE | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*(C46)P*G)-3') | Authors: | Lin, P.K.T, Schuerman, M.H, Moore, G.S, Van Meervelt, L, Loakes, D, Brown, D.M, Moore, M.H. | Deposit date: | 1998-07-15 | Release date: | 1998-09-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A thymine-like base analogue forms wobble pairs with adenine in a Z-DNA duplex. J.Mol.Biol., 282, 1998
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2VE4
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![BU of 2ve4 by Molmil](/molmil-images/mine/2ve4) | Substrate free cyanobacterial CYP120A1 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 120 | Authors: | Kuhnel, K, Ke, N, Sligar, S.G, Schuler, M.A, Schlichting, I. | Deposit date: | 2007-10-16 | Release date: | 2008-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 Cyp120A1. Biochemistry, 47, 2008
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4Z5D
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![BU of 4z5d by Molmil](/molmil-images/mine/4z5d) | HipB-O4 21mer complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2015-04-02 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular mechanism on hipBA gene regulation. To be published
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3HTH
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![BU of 3hth by Molmil](/molmil-images/mine/3hth) | |
3HTJ
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![BU of 3htj by Molmil](/molmil-images/mine/3htj) | |
2N7B
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![BU of 2n7b by Molmil](/molmil-images/mine/2n7b) | Solution structure of the human Siglec-8 lectin domain in complex with 6'sulfo sialyl Lewisx | Descriptor: | 3-aminopropan-1-ol, N-acetyl-alpha-neuraminic acid-(2-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid-binding Ig-like lectin 8 | Authors: | Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M. | Deposit date: | 2015-09-07 | Release date: | 2016-07-06 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8. Proc.Natl.Acad.Sci.USA, 113, 2016
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2OVW
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![BU of 2ovw by Molmil](/molmil-images/mine/2ovw) | ENDOGLUCANASE I COMPLEXED WITH CELLOBIOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Sulzenbacher, G, Davies, G.J, Schulein, M. | Deposit date: | 1997-04-04 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution. Biochemistry, 36, 1997
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4OVW
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![BU of 4ovw by Molmil](/molmil-images/mine/4ovw) | ENDOGLUCANASE I COMPLEXED WITH EPOXYBUTYL CELLOBIOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(beta-D-glucopyranosyloxy)-2,2-dihydroxybutyl propanoate, ENDOGLUCANASE I | Authors: | Davies, G.J, Schulein, M. | Deposit date: | 1997-10-06 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution. Biochemistry, 36, 1997
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1L6W
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![BU of 1l6w by Molmil](/molmil-images/mine/1l6w) | Fructose-6-phosphate aldolase | Descriptor: | Fructose-6-phosphate aldolase 1, GLYCEROL | Authors: | Thorell, S, Schuermann, M, Sprenger, G.A, Schneider, G. | Deposit date: | 2002-03-14 | Release date: | 2002-06-12 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of decameric fructose-6-phosphate aldolase from Escherichia coli reveals inter-subunit helix swapping as a structural basis for assembly differences in the transaldolase family. J.Mol.Biol., 319, 2002
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2MF0
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![BU of 2mf0 by Molmil](/molmil-images/mine/2mf0) | Structural basis of the non-coding RNA RsmZ acting as protein sponge: Conformer L of RsmZ(1-72)/RsmE(dimer) 1to3 complex | Descriptor: | Carbon storage regulator homolog, RNA_(72-MER) | Authors: | Duss, O, Michel, E, Yulikov, M, Schubert, M, Jeschke, G, Allain, F.H.-T. | Deposit date: | 2013-10-02 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis of the non-coding RNA RsmZ acting as a protein sponge. Nature, 509, 2014
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4BFC
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![BU of 4bfc by Molmil](/molmil-images/mine/4bfc) | Crystal structure of the C-terminal CMP-Kdo binding domain of WaaA from Acinetobacter baumannii | Descriptor: | 3-DEOXY-D-MANNO-OCTULOSONIC-ACID TRANSFERASE, BETA-MERCAPTOETHANOL, SULFATE ION | Authors: | Kimbung, Y.R, Hakansson, M, Logan, D, Wang, P.F, Schulz, M, Mamat, U, Woodard, R.W. | Deposit date: | 2013-03-18 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the C-Terminal Cmp-Kdo Binding Domain of Waaa from Acinetobacter Baumannii To be Published
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3HTI
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![BU of 3hti by Molmil](/molmil-images/mine/3hti) | |
4UR9
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![BU of 4ur9 by Molmil](/molmil-images/mine/4ur9) | Structure of ligand bound glycosylhydrolase | Descriptor: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | Authors: | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | Deposit date: | 2014-06-27 | Release date: | 2015-02-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl., 53, 2014
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3M8E
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![BU of 3m8e by Molmil](/molmil-images/mine/3m8e) | Protein structure of Type III plasmid segregation TubR | Descriptor: | Putative DNA-binding protein | Authors: | Ni, L, Schumacher, M.A. | Deposit date: | 2010-03-17 | Release date: | 2010-07-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From the Cover: Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition. Proc.Natl.Acad.Sci.USA, 107, 2010
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1DYS
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![BU of 1dys by Molmil](/molmil-images/mine/1dys) | Endoglucanase CEL6B from Humicola insolens | Descriptor: | ENDOGLUCANASE | Authors: | Davies, G.J, Brzozowski, A.M, Dauter, M, Varrot, A, Schulein, M. | Deposit date: | 2000-02-08 | Release date: | 2001-02-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and Function of Humicola Insolens Family 6 Cellulases: Structure of the Endoglucanase, Cel6B, at 1.6 A Resolution Biochem.J., 348, 2000
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3HTA
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![BU of 3hta by Molmil](/molmil-images/mine/3hta) | |
3M89
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![BU of 3m89 by Molmil](/molmil-images/mine/3m89) | Structure of TubZ-GTP-g-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, FtsZ/tubulin-related protein | Authors: | Ni, L, Xu, W, Schumacher, M.A. | Deposit date: | 2010-03-17 | Release date: | 2010-07-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | From the Cover: Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition. Proc.Natl.Acad.Sci.USA, 107, 2010
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2MF1
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![BU of 2mf1 by Molmil](/molmil-images/mine/2mf1) | Structural basis of the non-coding RNA RsmZ acting as protein sponge: Conformer R of RsmZ(1-72)/RsmE(dimer) 1to3 complex | Descriptor: | Carbon storage regulator homolog, RNA_(72-MER) | Authors: | Duss, O, Michel, E, Yulikov, M, Schubert, M, Jeschke, G, Allain, F.H.-T. | Deposit date: | 2013-10-02 | Release date: | 2014-05-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis of the non-coding RNA RsmZ acting as a protein sponge. Nature, 509, 2014
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1OVW
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![BU of 1ovw by Molmil](/molmil-images/mine/1ovw) | ENDOGLUCANASE I COMPLEXED WITH NON-HYDROLYSABLE SUBSTRATE ANALOGUE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-thio-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-1,4-dithio-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Sulzenbacher, G, Davies, G.J, Schulein, M. | Deposit date: | 1996-10-17 | Release date: | 1997-10-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the Fusarium oxysporum endoglucanase I with a nonhydrolyzable substrate analogue: substrate distortion gives rise to the preferred axial orientation for the leaving group. Biochemistry, 35, 1996
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3NXC
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![BU of 3nxc by Molmil](/molmil-images/mine/3nxc) | |
1QH7
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![BU of 1qh7 by Molmil](/molmil-images/mine/1qh7) | CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLASES: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMIDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE | Descriptor: | XYLANASE, beta-D-xylopyranose | Authors: | Sabini, E, Sulzenbacher, G, Dauter, M, Dauter, Z, Jorgensen, P.L, Schulein, M, Dupont, C, Davies, G.J, Wilson, K.S. | Deposit date: | 1999-05-11 | Release date: | 2000-05-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Catalysis and specificity in enzymatic glycoside hydrolysis: a 2,5B conformation for the glycosyl-enzyme intermediate revealed by the structure of the Bacillus agaradhaerens family 11 xylanase. Chem.Biol., 6, 1999
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2BVW
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![BU of 2bvw by Molmil](/molmil-images/mine/2bvw) | CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS IN COMPLEX WITH GLUCOSE AND CELLOTETRAOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, GLYCEROL, ... | Authors: | Varrot, A, Davies, G.J, Schulein, M. | Deposit date: | 1999-02-18 | Release date: | 2000-02-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural changes of the active site tunnel of Humicola insolens cellobiohydrolase, Cel6A, upon oligosaccharide binding. Biochemistry, 38, 1999
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3OVW
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![BU of 3ovw by Molmil](/molmil-images/mine/3ovw) | ENDOGLUCANASE I NATIVE STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | Authors: | Davies, G.J, Schulein, M. | Deposit date: | 1997-10-06 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the endoglucanase I from Fusarium oxysporum: native, cellobiose, and 3,4-epoxybutyl beta-D-cellobioside-inhibited forms, at 2.3 A resolution. Biochemistry, 36, 1997
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