6JGH
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![BU of 6jgh by Molmil](/molmil-images/mine/6jgh) | Crystal structure of the F99S/M153T/V163A/T203I variant of GFP at 0.94 A | Descriptor: | CHLORIDE ION, Green fluorescent protein | Authors: | Eki, H, Tai, Y, Takaba, K, Hanazono, Y, Miki, K, Takeda, K. | Deposit date: | 2019-02-14 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Subatomic resolution X-ray structures of green fluorescent protein. Iucrj, 6, 2019
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8CNP
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1KWF
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![BU of 1kwf by Molmil](/molmil-images/mine/1kwf) | Atomic Resolution Structure of an Inverting Glycosidase in Complex with Substrate | Descriptor: | Endoglucanase A, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Guerin, D.M.A, Lascombe, M.-B, Costabel, M, Souchon, H, Lamzin, V, Beguin, P, Alzari, P.M. | Deposit date: | 2002-01-29 | Release date: | 2002-03-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Atomic (0.94 A) resolution structure of an inverting glycosidase in complex with substrate. J.Mol.Biol., 316, 2002
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6Y1P
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![BU of 6y1p by Molmil](/molmil-images/mine/6y1p) | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | Descriptor: | 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ... | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | Deposit date: | 2020-02-13 | Release date: | 2021-02-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) To Be Published
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7APS
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![BU of 7aps by Molmil](/molmil-images/mine/7aps) | The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid | Descriptor: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Kolos, M.J, Pomplun, S, Riess, B, Purder, P, Voll, M.A, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F. | Deposit date: | 2020-10-19 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci, 12, 2021
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1GVK
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![BU of 1gvk by Molmil](/molmil-images/mine/1gvk) | Porcine pancreatic elastase acyl enzyme at 0.95 A resolution | Descriptor: | CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ... | Authors: | Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J. | Deposit date: | 2002-02-14 | Release date: | 2002-07-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution. J.Biol.Chem., 277, 2002
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1ZFF
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![BU of 1zff by Molmil](/molmil-images/mine/1zff) | TTC Duplex B-DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*AP*TP*TP*CP*GP*G)-3' | Authors: | Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S. | Deposit date: | 2005-04-20 | Release date: | 2005-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | How sequence defines structure: a crystallographic map of DNA structure and conformation. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1GVU
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![BU of 1gvu by Molmil](/molmil-images/mine/1gvu) | Endothiapepsin complex with H189 | Descriptor: | ENDOTHIAPEPSIN, INHIBITOR, H189, ... | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | Deposit date: | 2002-02-27 | Release date: | 2002-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism J.Mol.Biol., 318, 2002
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5R3L
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![BU of 5r3l by Molmil](/molmil-images/mine/5r3l) | PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 45, DMSO-Free | Descriptor: | Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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3HGP
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![BU of 3hgp by Molmil](/molmil-images/mine/3hgp) | Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by high resolution crystallography | Descriptor: | 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ... | Authors: | Tamada, T, Kinoshita, T, Kuroki, R, Tada, T. | Deposit date: | 2009-05-14 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond J.Am.Chem.Soc., 131, 2009
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5OU0
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![BU of 5ou0 by Molmil](/molmil-images/mine/5ou0) | Crystal structure of human AKR1B1 complexed with NADP+ and compound 37 | Descriptor: | 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A. | Deposit date: | 2017-08-23 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase. Eur J Med Chem, 152, 2018
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5IBN
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5R1V
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![BU of 5r1v by Molmil](/molmil-images/mine/5r1v) | PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry C04, DMSO-free | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, Endothiapepsin | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | Deposit date: | 2020-02-13 | Release date: | 2020-06-03 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
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7FYG
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![BU of 7fyg by Molmil](/molmil-images/mine/7fyg) | Crystal Structure of human FABP4 in complex with 6-benzyl-2H-1,2,4-triazine-3,5-dithione | Descriptor: | 1,2-ETHANEDIOL, 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Koch, W, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7OL5
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1NLS
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![BU of 1nls by Molmil](/molmil-images/mine/1nls) | CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | Authors: | Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J. | Deposit date: | 1997-01-28 | Release date: | 1997-11-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution J.Chem.Soc.,Faraday Trans., 93, 1997
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2FDN
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![BU of 2fdn by Molmil](/molmil-images/mine/2fdn) | 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDI-URICI | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | Authors: | Dauter, Z, Wilson, K.S, Sieker, L.C, Meyer, J, Moulis, J.M. | Deposit date: | 1997-10-01 | Release date: | 1998-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Atomic resolution (0.94 A) structure of Clostridium acidurici ferredoxin. Detailed geometry of [4Fe-4S] clusters in a protein. Biochemistry, 36, 1997
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2PPP
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6Q6T
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7A31
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7A2O
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7A2Q
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3QR7
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![BU of 3qr7 by Molmil](/molmil-images/mine/3qr7) | Crystal structure of the C-terminal fragment of the bacteriophage P2 membrane-piercing protein gpV | Descriptor: | Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ... | Authors: | Browning, C, Shneider, M, Leiman, P.G. | Deposit date: | 2011-02-17 | Release date: | 2012-02-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Phage pierces the host cell membrane with the iron-loaded spike. Structure, 20, 2012
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8QXQ
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![BU of 8qxq by Molmil](/molmil-images/mine/8qxq) | PsiM in complex with SAH and psilocybin | Descriptor: | CHLORIDE ION, Psilocybin synthase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Werten, S, Hudspeth, J, Rupp, B. | Deposit date: | 2023-10-24 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
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6SBL
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![BU of 6sbl by Molmil](/molmil-images/mine/6sbl) | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-07-21 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide To Be Published
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