1HRP
 
 | | CRYSTAL STRUCTURE OF HUMAN CHORIONIC GONADOTROPIN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN CHORIONIC GONADOTROPIN | | Authors: | Lapthorn, A.J, Harris, D.C, Isaacs, N.W. | | Deposit date: | 1994-08-15 | | Release date: | 1994-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human chorionic gonadotropin.
Nature, 369, 1994
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7O0N
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3C27
 | | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | | Deposit date: | 2008-01-24 | | Release date: | 2009-02-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors
To be Published
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3KCG
 | | Crystal structure of the antithrombin-factor IXa-pentasaccharide complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ... | | Authors: | Huntington, J.A, Johnson, D.J.D. | | Deposit date: | 2009-10-21 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5TXM
 | | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | | Authors: | Das, K, Martinez, S.M, Arnold, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
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7O18
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
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6WEJ
 | | Structure of cGMP-unbound WT TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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6WEK
 | | Structure of cGMP-bound WT TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CYCLIC GUANOSINE MONOPHOSPHATE, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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4AHT
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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3CV6
 | | The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+. | | Descriptor: | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ... | | Authors: | Dhagat, U, El-Kabbani, O. | | Deposit date: | 2008-04-17 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate.
Acta Crystallogr.,Sect.D, 65, 2009
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1J8Y
 | | Signal Recognition Particle conserved GTPase domain from A. ambivalens T112A mutant | | Descriptor: | SIGNAL RECOGNITION 54 KDA PROTEIN | | Authors: | Montoya, G, te Kaat, K, Moll, R, Schaerfer, G, Sinning, I. | | Deposit date: | 2001-05-23 | | Release date: | 2001-06-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the conserved GTPase of SRP54 from the archaeon Acidianus ambivalens and its comparison with related structures suggests a model for the SRP-SRP receptor complex.
Structure Fold.Des., 8, 2000
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6WEL
 | | Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ... | | Authors: | Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-06-03 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
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4AHS
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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1LVU
 | | Crystal structure of calf spleen purine nucleoside phosphorylase in a new space group with full trimer in the asymmetric unit | | Descriptor: | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE, CALCIUM ION, Purine nucleoside phosphorylase | | Authors: | Bzowska, A, Koellner, G, Wielgus-Kutrowska, B, Stroh, A, Raszewski, G, Holy, A, Steiner, T, Frank, J. | | Deposit date: | 2002-05-29 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of calf spleen purine nucleoside phosphorylase with two full trimers in the asymmetric unit: important implications for the mechanism of catalysis
J.Mol.Biol., 342, 2004
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1SET
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1J1W
 | | Crystal Structure Of The Monomeric Isocitrate Dehydrogenase In Complex With NADP+ | | Descriptor: | Isocitrate Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Yasutake, Y, Watanabe, S, Yao, M, Takada, Y, Fukunaga, N, Tanaka, I. | | Deposit date: | 2002-12-19 | | Release date: | 2003-09-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of the Monomeric Isocitrate Dehydrogenase in the Presence of NADP+
J.Biol.Chem., 278, 2003
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1J8M
 | | Signal Recognition Particle conserved GTPase domain from A. ambivalens | | Descriptor: | SIGNAL RECOGNITION 54 KDA PROTEIN | | Authors: | Montoya, G, te Kaat, K, Moll, R, Schafer, G, Sinning, I. | | Deposit date: | 2001-05-22 | | Release date: | 2001-06-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of the conserved GTPase of SRP54 from the archaeon Acidianus ambivalens and its comparison with related structures suggests a model for the SRP-SRP receptor complex.
Structure Fold.Des., 8, 2000
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6X0L
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3CG8
 | | Laccase from Streptomyces coelicolor | | Descriptor: | COPPER (II) ION, OXYGEN ATOM, TETRAETHYLENE GLYCOL, ... | | Authors: | Skalova, T, Dohnalek, J, Ostergaard, L.H, Ostergaard, P.R, Kolenko, P, Duskova, J, Hasek, J. | | Deposit date: | 2008-03-05 | | Release date: | 2009-01-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.679 Å) | | Cite: | The Structure of the Small Laccase from Streptomyces coelicolor Reveals a Link between Laccases and Nitrite Reductases.
J.Mol.Biol., 385, 2009
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1TIJ
 | | 3D Domain-swapped human cystatin C with amyloid-like intermolecular beta-sheets | | Descriptor: | Cystatin C | | Authors: | Janowski, R, Kozak, M, Abrahamson, M, Grubb, A, Jaskolski, M. | | Deposit date: | 2004-06-02 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | 3D domain-swapped human cystatin C with amyloidlike intermolecular beta-sheets.
Proteins, 61, 2005
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4AHR
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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7OVY
 | | Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ... | | Authors: | Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A. | | Deposit date: | 2021-06-15 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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3D2O
 | | Crystal Structure of Manganese-metallated GTP Cyclohydrolase Type IB | | Descriptor: | AZIDE ION, CHLORIDE ION, LITHIUM ION, ... | | Authors: | Swairjo, M.A. | | Deposit date: | 2008-05-08 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Zinc-independent folate biosynthesis: genetic, biochemical, and structural investigations reveal new metal dependence for GTP cyclohydrolase IB
J.Bacteriol., 191, 2009
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4AHV
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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3CLN
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